Marvin  08140713462D          

 16 17  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4783    0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2234   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5253    2.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2398    2.5474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  2  0  0  0  0
  7  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  1  2  0  0  0  0
  5  6  1  0  0  0  0
  6 16  1  0  0  0  0
  9  8  1  0  0  0  0
 11  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 11 15  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  3  0  0  0  0
M  END
> <ID>
CHEBI:39176

> <NAME>
(Z)-thiacloprid

> <DEFINITION>
The (Z)-stereoisomer of thiacloprid.

> <STAR>
3

> <IUPAC_NAME>
{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide

> <FORMULA>
C10H9ClN4S

> <MASS>
252.72412

> <MONOISOTOPIC_MASS>
252.02365

> <CHARGE>
0

> <SMILES>
Clc1ccc(CN2CCS\C2=N/C#N)cn1

> <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/b14-10-

> <INCHIKEY>
HOKKPVIRMVDYPB-UVTDQMKNSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8983861

> <CAS_REGISTRY_NUMBER>
111988-49-9

> <KEGG_COMPOUND_ACCESSION>
C18512

> <PDBECHEM_ACCESSION>
TH4

> <PESTICIDES_ACCESSION>
thiacloprid

> <WIKIPEDIA_ACCESSION>
Thiacloprid

$$$$