Marvin  06190714582D          

 19 20  0  0  0  0            999 V2000
   -3.8750    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5895    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5895    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1605    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1605    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4461    0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7316    0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4461    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4461    2.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7316    1.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0171    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3027    1.2875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1983    2.4969    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4118    1.7000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.1263    2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8408    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8243    0.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    0.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  9  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 14  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <ID>
CHEBI:2953

> <NAME>
azinphos-methyl

> <DEFINITION>
A member of the class of  benzotriazines that is  1,2,3-benzotriazine substituted by an oxo group at position 4 and a [(dimethoxyphosphorothioyl)sulfanyl]methyl group at position 3.

> <STAR>
3

> <SYNONYM>
Phosphorodithioic acid, O,O-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester; O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] dithiophosphate; O,O-Dimethyl S-(3,4-dihydro-4-keto-1,2,3-benzotriazinyl-3-methyl) dithiophosphate; Guthion; Azinphosmethyl; Azinphos methyl; Azinphos methyl; 3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one, O,O-dimethyl phosphorodithioate

> <IUPAC_NAME>
O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] phosphorodithioate

> <FORMULA>
C10H12N3O3PS2

> <MASS>
317.32646

> <MONOISOTOPIC_MASS>
317.00577

> <CHARGE>
0

> <SMILES>
COP(=S)(OC)SCn1nnc2ccccc2c1=O

> <INCHI>
InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3

> <INCHIKEY>
CJJOSEISRRTUQB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
86-50-0

> <REAXYS_REGISTRY_NUMBER>
280476

> <CHEMIDPLUS>
86-50-0

> <KEGG_COMPOUND_ACCESSION>
C11018

> <LINCS_ACCESSION>
LSM-20980

> <NIST_CHEMISTRY_WEBBOOK>
86-50-0

> <WIKIPEDIA_ACCESSION>
Azinphos-methyl

> <PUBMED_CITATION>
17097717; 24177216

$$$$