647700
  -OEChem-05072417092D

 53 57  0     0  0  0  0  0  0999 V2000
    8.0405    0.8759    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8850   -0.5914    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3758    0.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3813    2.3598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6665    1.1986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.8295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.6342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.4389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7094   -1.3431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5763   -0.8446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9739    0.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9517    0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3369    1.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6887    1.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0183    0.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2590   -0.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6221    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0295    2.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3147    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2368   -1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5999    0.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7000    3.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9851    2.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3701    0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9072   -0.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6777    3.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3598    0.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9512   -0.3725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -0.2593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -0.7916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7850    0.0918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5435    0.3368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8434   -1.3742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4315    1.3694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4233    3.0222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5053    1.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4274   -1.7137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0155    1.0298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5094    4.2242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5913    2.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0934    3.8846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3 23  1  0  0  0  0
  3 32  1  0  0  0  0
  4 15  2  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  2  0  0  0  0
 10 32  2  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  2  0  0  0  0
 13 22  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  2  0  0  0  0
 15 18  1  0  0  0  0
 16 23  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 25  2  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 26  1  0  0  0  0
 19 41  1  0  0  0  0
 20 27  2  0  0  0  0
 20 42  1  0  0  0  0
 21 29  1  0  0  0  0
 21 43  1  0  0  0  0
 22 30  2  0  0  0  0
 22 44  1  0  0  0  0
 24 28  1  0  0  0  0
 24 45  1  0  0  0  0
 25 31  1  0  0  0  0
 25 46  1  0  0  0  0
 26 33  2  0  0  0  0
 26 47  1  0  0  0  0
 27 33  1  0  0  0  0
 27 48  1  0  0  0  0
 28 31  2  0  0  0  0
 28 49  1  0  0  0  0
 29 34  2  0  0  0  0
 29 50  1  0  0  0  0
 30 34  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 34 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
647700

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
663

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sQBAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHwQIAAAADAjF3gywwLMIBEiqAyVyVACSBARpkhAa2CC4dJgKYKLAkbGdIAhgjgDYyAcQgAAOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]-N-phenyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-[(4-fluorophenyl)methyl]-N-phenylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-<I>N</I>-[(4-fluorophenyl)methyl]-<I>N</I>-phenylacetamide

> <PUBCHEM_IUPAC_NAME>
2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]-N-phenylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]-N-phenyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[5-(benzotriazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-(4-fluorobenzyl)-N-phenyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H19FN6O2S/c25-18-12-10-17(11-13-18)14-30(19-6-2-1-3-7-19)23(32)16-34-24-28-27-22(33-24)15-31-21-9-5-4-8-20(21)26-29-31/h1-13H,14-16H2

> <PUBCHEM_IUPAC_INCHIKEY>
LZMWKHMCXZOKLD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
474.12742321

> <PUBCHEM_MOLECULAR_FORMULA>
C24H19FN6O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
474.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)N(CC2=CC=C(C=C2)F)C(=O)CSC3=NN=C(O3)CN4C5=CC=CC=C5N=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)N(CC2=CC=C(C=C2)F)C(=O)CSC3=NN=C(O3)CN4C5=CC=CC=C5N=N4

> <PUBCHEM_CACTVS_TPSA>
115

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
474.12742321

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  32  8
12  19  8
12  20  8
13  21  8
13  22  8
14  17  8
14  24  8
17  25  8
19  26  8
20  27  8
21  29  8
22  30  8
24  28  8
25  31  8
26  33  8
27  33  8
28  31  8
29  34  8
3  23  8
3  32  8
30  34  8
6  14  8
6  7  8
7  8  8
8  17  8
9  10  8
9  23  8

$$$$