6-(4-methoxyphenyl)-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C24H19F3N4O2S MolecularWeight: 484.49347

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C24H19F3N4O2S/c1-33-16-9-7-15(8-10-16)20-13-18(24(25,26)27)17(14-28)22(29-20)34-12-4-11-31-21-6-3-2-5-19(21)30-23(31)32/h2-3,5-10,13H,4,11-12H2,1H3,(H,30,32)