methyl 4-[[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C24H19F3N2O2S MolecularWeight: 456.48007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19F3N2O2S/c1-31-22(30)18-9-7-17(8-10-18)15-32-23-28-20-13-19(24(25,26)27)11-12-21(20)29(23)14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3