67562673
  -OEChem-04262414292D

 36 39  0     0  0  0  0  0  0999 V2000
    2.0000   -1.4332    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7794   -1.3368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2458   -2.4629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3421    0.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2585    0.7112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1110   -1.9614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3421    2.3820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3123    1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5692   -0.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3123    2.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8421    1.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2585    2.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9014   -0.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4463    0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4463    2.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9066   -0.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8421    1.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5803    1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5803    2.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5015   -1.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5237   -2.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1186   -2.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1238   -2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9142   -1.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9518   -0.7272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1161    0.0527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4511    2.9100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4463   -0.1041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4463    3.1359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5957   -0.3444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433    0.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433    2.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0321    2.9189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9621    2.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4295   -3.4553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7098   -3.2776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 21  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  4 17  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 13  2  0  0  0  0
  7 17  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  2  0  0  0  0
 16 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67562673

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
483

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MABEAAAAAAAAAAAAAAAAAWLEgAAwAAAAAAAAAFgB/gAAHgYUAAAADA7B3iQwxfNcEAitA6VyVgCDgKAnLzBo2Dm+btoIZvrhl7OUMYhmwBnoyce8iYCeAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]indole-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-2-indolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]indole-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]indole-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H12ClN3O2S/c18-16-6-5-15(24-16)14-8-11(20-23-14)9-21-12-4-2-1-3-10(12)7-13(21)17(19)22/h1-8H,9H2,(H2,19,22)

> <PUBCHEM_IUPAC_INCHIKEY>
WKZOXQINRCKWCD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
357.0338755

> <PUBCHEM_MOLECULAR_FORMULA>
C17H12ClN3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
357.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
102

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
357.0338755

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  12  8
10  15  8
11  12  8
13  16  8
14  18  8
15  19  8
16  20  8
18  19  8
2  21  8
2  24  8
21  22  8
22  23  8
23  24  8
3  20  8
3  6  8
5  11  8
5  8  8
6  13  8
8  10  8
8  14  8

$$$$