ethyl 1-(pyridin-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-(pyridin-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-(2-pyridylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazole-5-carboxylate CAS Name: 1-(2-pyridinylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(pyridin-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 1-(2-pyridylmethyl)-2-[[3-(trifluoromethyl)benzyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C24H20F3N3O2S MolecularWeight: 471.49471

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)CC4=CC=CC=N4

InChI

InChI=1S/C24H20F3N3O2S/c1-2-32-22(31)17-9-10-21-20(13-17)29-23(30(21)14-19-8-3-4-11-28-19)33-15-16-6-5-7-18(12-16)24(25,26)27/h3-13H,2,14-15H2,1H3