2767048
  -OEChem-05122415362D

 34 36  0     0  0  0  0  0  0999 V2000
    3.0000   -3.2772    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7228    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910    2.3106    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.7228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9680    1.0234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5032    2.6707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.2617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.2617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    2.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601    2.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4543    2.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1974    3.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6622    1.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1485    2.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6132    1.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3564    1.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.4672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.4672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.0872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.0872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3743    3.2772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0685    3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2014    0.9687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6092    3.1367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7422    0.4681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9460    1.5521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  6 15  2  0  0  0  0
  7 15  1  0  0  0  0
  7 18  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  2  0  0  0  0
 14 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 30  1  0  0  0  0
 21 23  2  0  0  0  0
 21 31  1  0  0  0  0
 22 24  2  0  0  0  0
 22 32  1  0  0  0  0
 23 24  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2767048

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
541

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABkAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgYYQAAACAqB1iAwwZLAAAquASVyUHDCJRAnDxAYiB2AZsgIYCLhk5GUIAhglADoyAcQAAAAAAIAAAAAAAAABAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(4-chlorophenyl)sulfonyl-N-phenyl-thiadiazole-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-(4-chlorophenyl)sulfonyl-N-phenyl-4-thiadiazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(4-chlorophenyl)sulfonyl-<I>N</I>-phenylthiadiazole-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-(4-chlorophenyl)sulfonyl-N-phenylthiadiazole-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(4-chlorophenyl)sulfonyl-N-phenyl-1,2,3-thiadiazole-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(4-chlorophenyl)sulfonyl-N-phenyl-thiadiazole-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10ClN3O3S2/c16-10-6-8-12(9-7-10)24(21,22)15-13(18-19-23-15)14(20)17-11-4-2-1-3-5-11/h1-9H,(H,17,20)

> <PUBCHEM_IUPAC_INCHIKEY>
WBGBOQGUFPAFOW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
378.9852112

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10ClN3O3S2

> <PUBCHEM_MOLECULAR_WEIGHT>
379.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NC(=O)C2=C(SN=N2)S(=O)(=O)C3=CC=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)NC(=O)C2=C(SN=N2)S(=O)(=O)C3=CC=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
126

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
378.9852112

> <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  13  8
10  14  8
11  12  8
13  16  8
14  17  8
16  19  8
17  19  8
18  20  8
18  21  8
20  22  8
21  23  8
22  24  8
23  24  8
3  11  8
3  9  8
8  12  8
8  9  8

$$$$