methyl 4-[2-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]ethyl]sulfanylbenzoate

Systemtic Name: methyl 4-[2-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]ethyl]sulfanylbenzoate Openeye Name: methyl 4-[2-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]ethyl]sulfanylbenzoate CAS Name: 4-[[2-(1-imidazolyl)-1-[4-(trifluoromethyl)phenyl]ethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[2-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]ethyl]sulfanylbenzoate Traditional Name: 4-[[2-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]ethyl]thio]benzoic acid methyl ester Formula: C20H17F3N2O2S MolecularWeight: 406.42139

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H17F3N2O2S/c1-27-19(26)15-4-8-17(9-5-15)28-18(12-25-11-10-24-13-25)14-2-6-16(7-3-14)20(21,22)23/h2-11,13,18H,12H2,1H3