Mrv0541 11191416142D          

 17 18  0  0  0  0            999 V2000
    4.6511   -6.0755    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3655   -5.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800   -6.0755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7944   -5.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7944   -4.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800   -4.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3655   -4.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5089   -4.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5089   -3.6006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1763   -3.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9609   -3.3706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1325   -4.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5193   -4.7295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9170   -4.4325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9214   -2.3310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0964   -2.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8415   -3.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  4  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
> <ID>
CHEBI:83543

> <NAME>
thiacloprid-amide

> <DEFINITION>
A monochloropyridine that is 2-chloropyridine substituted by a [2-(carbamoylimino)-1,3-thiazolidin-3-yl]methyl group at position 5. It is a metabolite of the insecticide thiacloprid.

> <STAR>
3

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

> <FORMULA>
C10H11ClN4OS

> <MASS>
270.73900

> <MONOISOTOPIC_MASS>
270.03421

> <CHARGE>
0

> <SMILES>
NC(=O)N=C1SCCN1Cc1ccc(Cl)nc1

> <INCHI>
InChI=1S/C10H11ClN4OS/c11-8-2-1-7(5-13-8)6-15-3-4-17-10(15)14-9(12)16/h1-2,5H,3-4,6H2,(H2,12,16)

> <INCHIKEY>
LEZHOZPJYAQQNU-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
20544098

> <PUBMED_CITATION>
16917672; 22148554

$$$$