4-(1-cyclohexyl-2-imidazol-1-yl-ethyl)sulfanylbenzoic acid

Systemtic Name: 4-(1-cyclohexyl-2-imidazol-1-yl-ethyl)sulfanylbenzoic acid Openeye Name: 4-(1-cyclohexyl-2-imidazol-1-yl-ethyl)sulfanylbenzoic acid CAS Name: 4-[[1-cyclohexyl-2-(1-imidazolyl)ethyl]thio]benzoic acid IUPAC Name: 4-(1-cyclohexyl-2-imidazol-1-ylethyl)sulfanylbenzoic acid Traditional Name: 4-[(1-cyclohexyl-2-imidazol-1-yl-ethyl)thio]benzoic acid Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H22N2O2S/c21-18(22)15-6-8-16(9-7-15)23-17(12-20-11-10-19-13-20)14-4-2-1-3-5-14/h6-11,13-14,17H,1-5,12H2,(H,21,22)