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

Systemtic Name: 4-[1-(2-hydroxyphenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoic acid Openeye Name: 4-[1-(2-hydroxyphenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(2-hydroxyphenyl)-2-(1-imidazolyl)ethyl]thio]benzoic acid IUPAC Name: 4-[1-(2-hydroxyphenyl)-2-imidazol-1-ylethyl]sulfanylbenzoic acid Traditional Name: 4-[[1-(2-hydroxyphenyl)-2-imidazol-1-yl-ethyl]thio]benzoic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c21-16-4-2-1-3-15(16)17(11-20-10-9-19-12-20)24-14-7-5-13(6-8-14)18(22)23/h1-10,12,17,21H,11H2,(H,22,23)