(3-nitrophenyl)methyl (1E)-N-[methyl(methylsulfanyl)phosphoryl]ethanimidothioate

Systemtic Name: (3-nitrophenyl)methyl (1E)-N-[methyl(methylsulfanyl)phosphoryl]ethanimidothioate Openeye Name: (3-nitrophenyl)methyl (1E)-N-[methyl(methylsulfanyl)phosphoryl]ethanimidothioate CAS Name: (1E)-N-[methyl-(methylthio)phosphoryl]ethanimidothioic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl (1E)-N-[methyl(methylsulfanyl)phosphoryl]ethanimidothioate Traditional Name: (1E)-N-[methyl-(methylthio)phosphoryl]thioacetimidic acid (3-nitrobenzyl) ester Formula: C11H15N2O3PS2 MolecularWeight: 318.352161

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NP(=O)(C)SC)SCC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\P(=O)(C)SC)/SCC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H15N2O3PS2/c1-9(12-17(2,16)18-3)19-8-10-5-4-6-11(7-10)13(14)15/h4-7H,8H2,1-3H3/b12-9+