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

Systemtic Name: 4-(2-imidazol-1-yl-1-phenyl-ethyl)sulfanylbenzoic acid Openeye Name: 4-(2-imidazol-1-yl-1-phenyl-ethyl)sulfanylbenzoic acid CAS Name: 4-[[2-(1-imidazolyl)-1-phenylethyl]thio]benzoic acid IUPAC Name: 4-(2-imidazol-1-yl-1-phenylethyl)sulfanylbenzoic acid Traditional Name: 4-[(2-imidazol-1-yl-1-phenyl-ethyl)thio]benzoic acid Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H16N2O2S/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/h1-11,13,17H,12H2,(H,21,22)