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

Systemtic Name: 4-[2-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(1-imidazolyl)-1-[4-(trifluoromethyl)phenyl]ethyl]thio]benzoic acid IUPAC Name: 4-[2-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]ethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]ethyl]thio]benzoic acid Formula: C19H15F3N2O2S MolecularWeight: 392.39481

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H15F3N2O2S/c20-19(21,22)15-5-1-13(2-6-15)17(11-24-10-9-23-12-24)27-16-7-3-14(4-8-16)18(25)26/h1-10,12,17H,11H2,(H,25,26)