115224
  -OEChem-05052414532D

 25 26  0     0  0  0  0  0  0999 V2000
    2.0000    0.0600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    0.3575    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915   -0.1037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1073   -2.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437    1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8994   -1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7453    2.3311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9337    2.5036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    2.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    2.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4144    0.8591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3277    1.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  2  0  0  0  0
  4 16  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  2  0  0  0  0
  6 16  3  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
115224

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
324

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgABEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHAYAAAAADALFWiS9gJMIEAiwAjBnZACCkCFxBzAJ2CA4ZpgIIOLB25GEIAhggADIyAYQAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[3-[(6-chloro-3-pyridyl)methyl]thiazolidin-2-ylidene]cyanamide

> <PUBCHEM_IUPAC_CAS_NAME>
[3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide

> <PUBCHEM_IUPAC_NAME>
[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[3-[(6-chloranylpyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[3-[(6-chloro-3-pyridyl)methyl]thiazolidin-2-ylidene]cyanamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2

> <PUBCHEM_IUPAC_INCHIKEY>
HOKKPVIRMVDYPB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
252.0236452

> <PUBCHEM_MOLECULAR_FORMULA>
C10H9ClN4S

> <PUBCHEM_MOLECULAR_WEIGHT>
252.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl

> <PUBCHEM_CACTVS_TPSA>
77.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
252.0236452

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  13  8
12  14  8
14  15  8
5  13  8
5  15  8

$$$$