methyl 2-[(N-cyano-C-methylsulfanyl-carbonimidoyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 2-[(N-cyano-C-methylsulfanyl-carbonimidoyl)sulfanylmethyl]benzoate Openeye Name: methyl 2-[(N-cyano-C-methylsulfanyl-carbonimidoyl)sulfanylmethyl]benzoate CAS Name: 2-[[[cyanoimino-(methylthio)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(N-cyano-C-methylsulfanylcarbonimidoyl)sulfanylmethyl]benzoate Traditional Name: 2-[[[N-cyano-C-(methylthio)carbonimidoyl]thio]methyl]benzoic acid methyl ester Formula: C12H12N2O2S2 MolecularWeight: 280.36588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CSC(=NC#N)SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1CSC(=NC#N)SC

InChI

InChI=1S/C12H12N2O2S2/c1-16-11(15)10-6-4-3-5-9(10)7-18-12(17-2)14-8-13/h3-6H,7H2,1-2H3