2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C23H17F3N4O2S MolecularWeight: 470.46689

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H17F3N4O2S/c1-31-13-7-8-20(32-2)14(9-13)19-10-16(23(24,25)26)15(11-27)22(30-19)33-12-21-28-17-5-3-4-6-18(17)29-21/h3-10H,12H2,1-2H3,(H,28,29)