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

Systemtic Name: 2-[[C-cyclopentylsulfanyl-N-(4-methylphenyl)carbonimidoyl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[C-cyclopentylsulfanyl-N-(p-tolyl)carbonimidoyl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[(cyclopentylthio)-(4-methylphenyl)iminomethyl]thio]methyl]benzoic acid IUPAC Name: 2-[[C-cyclopentylsulfanyl-N-(4-methylphenyl)carbonimidoyl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[C-(cyclopentylthio)-N-(p-tolyl)carbonimidoyl]thio]methyl]benzoic acid Formula: C21H23NO2S2 MolecularWeight: 385.54282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(SCC2=CC=CC=C2C(=O)O)SC3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N=C(SCC2=CC=CC=C2C(=O)O)SC3CCCC3

InChI

InChI=1S/C21H23NO2S2/c1-15-10-12-17(13-11-15)22-21(26-18-7-3-4-8-18)25-14-16-6-2-5-9-19(16)20(23)24/h2,5-6,9-13,18H,3-4,7-8,14H2,1H3,(H,23,24)