methyl 5-[[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C22H17F3N2O3S MolecularWeight: 446.44219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H17F3N2O3S/c1-29-20(28)19-10-8-16(30-19)13-31-21-26-17-11-15(22(23,24)25)7-9-18(17)27(21)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3