2-[[N-(4-methylphenyl)-C-methylsulfanyl-carbonimidoyl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[N-(4-methylphenyl)-C-methylsulfanyl-carbonimidoyl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[C-methylsulfanyl-N-(p-tolyl)carbonimidoyl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[(4-methylphenyl)imino-(methylthio)methyl]thio]methyl]benzoic acid IUPAC Name: 2-[[N-(4-methylphenyl)-C-methylsulfanylcarbonimidoyl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[C-(methylthio)-N-(p-tolyl)carbonimidoyl]thio]methyl]benzoic acid Formula: C17H17NO2S2 MolecularWeight: 331.45238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(SC)SCC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N=C(SC)SCC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H17NO2S2/c1-12-7-9-14(10-8-12)18-17(21-2)22-11-13-5-3-4-6-15(13)16(19)20/h3-10H,11H2,1-2H3,(H,19,20)