methyl 2-[(C-methylsulfanyl-N-pyridin-3-yl-carbonimidoyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 2-[(C-methylsulfanyl-N-pyridin-3-yl-carbonimidoyl)sulfanylmethyl]benzoate Openeye Name: methyl 2-[[C-methylsulfanyl-N-(3-pyridyl)carbonimidoyl]sulfanylmethyl]benzoate CAS Name: 2-[[[(methylthio)-(3-pyridinylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(C-methylsulfanyl-N-pyridin-3-ylcarbonimidoyl)sulfanylmethyl]benzoate Traditional Name: 2-[[[C-(methylthio)-N-(3-pyridyl)carbonimidoyl]thio]methyl]benzoic acid methyl ester Formula: C16H16N2O2S2 MolecularWeight: 332.44044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CSC(=NC2=CN=CC=C2)SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1CSC(=NC2=CN=CC=C2)SC

InChI

InChI=1S/C16H16N2O2S2/c1-20-15(19)14-8-4-3-6-12(14)11-22-16(21-2)18-13-7-5-9-17-10-13/h3-10H,11H2,1-2H3