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

Systemtic Name: 6-cyclopropyl-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-4-(trifluoromethyl)nicotinonitrile Formula: C20H17F3N4OS MolecularWeight: 418.43539

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1CC1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H17F3N4OS/c21-20(22,23)14-10-16(12-6-7-12)25-18(13(14)11-24)29-9-3-8-27-17-5-2-1-4-15(17)26-19(27)28/h1-2,4-5,10,12H,3,6-9H2,(H,26,28)