599535
  -OEChem-06191314522D

 22 23  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5194    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5194    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    2.5684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    4.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    4.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  1  0  0  0  0
  6 14  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
599535

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
267

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzIABGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgYQAAAADALF2iS9kZLIEAisAjF3dACC8Kl1DzlJyA0YJsiIIDKBnxGEIQhogQIIjacYiACOBAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,4-dichloro-N-thiazol-2-yl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2,4-dichloro-N-(2-thiazolyl)benzamide

> <PUBCHEM_IUPAC_NAME>
2,4-dichloro-N-(1,3-thiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,4-bis(chloranyl)-N-(1,3-thiazol-2-yl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,4-dichloro-N-thiazol-2-yl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H6Cl2N2OS/c11-6-1-2-7(8(12)5-6)9(15)14-10-13-3-4-16-10/h1-5H,(H,13,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
TYJWBXUICUJRNJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
271.957789

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6Cl2N2OS

> <PUBCHEM_MOLECULAR_WEIGHT>
273.13844

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1Cl)Cl)C(=O)NC2=NC=CS2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1Cl)Cl)C(=O)NC2=NC=CS2

> <PUBCHEM_CACTVS_TPSA>
70.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
271.957789

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  13  8
12  13  8
15  16  8
3  14  8
3  15  8
6  14  8
6  16  8
7  10  8
7  9  8
9  11  8

$$$$