4-[2-imidazol-1-yl-1-(2-methylphenyl)ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-imidazol-1-yl-1-(2-methylphenyl)ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-imidazol-1-yl-1-(o-tolyl)ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(1-imidazolyl)-1-(2-methylphenyl)ethyl]thio]benzoic acid IUPAC Name: 4-[2-imidazol-1-yl-1-(2-methylphenyl)ethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-imidazol-1-yl-1-(o-tolyl)ethyl]thio]benzoic acid Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H18N2O2S/c1-14-4-2-3-5-17(14)18(12-21-11-10-20-13-21)24-16-8-6-15(7-9-16)19(22)23/h2-11,13,18H,12H2,1H3,(H,22,23)