2-[(C-methylsulfanyl-N-phenyl-carbonimidoyl)sulfanylmethyl]benzoic acid

Systemtic Name: 2-[(C-methylsulfanyl-N-phenyl-carbonimidoyl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(C-methylsulfanyl-N-phenyl-carbonimidoyl)sulfanylmethyl]benzoic acid CAS Name: 2-[[[(methylthio)-phenyliminomethyl]thio]methyl]benzoic acid IUPAC Name: 2-[(C-methylsulfanyl-N-phenylcarbonimidoyl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[[C-(methylthio)-N-phenyl-carbonimidoyl]thio]methyl]benzoic acid Formula: C16H15NO2S2 MolecularWeight: 317.4258

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=CC=C1)SCC2=CC=CC=C2C(=O)O

Isomeric SMILES

CSC(=NC1=CC=CC=C1)SCC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H15NO2S2/c1-20-16(17-13-8-3-2-4-9-13)21-11-12-7-5-6-10-14(12)15(18)19/h2-10H,11H2,1H3,(H,18,19)