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

Systemtic Name: 4-[1-(4-fluorophenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoic acid Openeye Name: 4-[1-(4-fluorophenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(4-fluorophenyl)-2-(1-imidazolyl)ethyl]thio]benzoic acid IUPAC Name: 4-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]sulfanylbenzoic acid Traditional Name: 4-[[1-(4-fluorophenyl)-2-imidazol-1-yl-ethyl]thio]benzoic acid Formula: C18H15FN2O2S MolecularWeight: 342.387303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O)F

InChI

InChI=1S/C18H15FN2O2S/c19-15-5-1-13(2-6-15)17(11-21-10-9-20-12-21)24-16-7-3-14(4-8-16)18(22)23/h1-10,12,17H,11H2,(H,22,23)