60182299
  -OEChem-04262417012D

 32 34  0     1  0  0  0  0  0999 V2000
    3.9538    0.9514    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    3.6750   -0.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    0.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.1424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -0.8087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1294    2.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172    3.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159    4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3104    4.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1164    2.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0331    1.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816    2.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1115    3.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3338    3.3136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0637    4.9629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6749    4.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  1  0  0  0  0
 15 27  1  0  0  0  0
 16 19  2  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60182299

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
328

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgQIAAAADACF2gCwAIAABEqqAiFyEEDaAABsABAaiCEgDNgIJrKgtRmIMQBkyAEIqYeYyCCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-benzylsulfinyl-5-phenyl-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_CAS_NAME>
2-phenyl-5-(phenylmethyl)sulfinyl-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-benzylsulfinyl-5-phenyl-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_NAME>
2-benzylsulfinyl-5-phenyl-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-phenyl-5-(phenylmethyl)sulfinyl-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-benzylsulfinyl-5-phenyl-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12N2O2S/c18-20(11-12-7-3-1-4-8-12)15-17-16-14(19-15)13-9-5-2-6-10-13/h1-10H,11H2

> <PUBCHEM_IUPAC_INCHIKEY>
OXHLDLLFODCHKL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
284.06194880

> <PUBCHEM_MOLECULAR_FORMULA>
C15H12N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
284.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)CS(=O)C2=NN=C(O2)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CS(=O)C2=NN=C(O2)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
75.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.06194880

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
1  6  3
10  14  8
11  15  8
11  16  8
13  17  8
14  17  8
15  18  8
16  19  8
18  20  8
19  20  8
2  12  8
2  8  8
4  5  8
4  8  8
5  12  8
7  10  8
7  9  8
9  13  8

$$$$