2-[2-(1H-benzimidazol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1H-benzimidazol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(1H-benzimidazol-2-yl)-2-oxo-ethyl]sulfanyl-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(1H-benzimidazol-2-yl)-2-oxoethyl]thio]-6-tert-butyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1H-benzimidazol-2-yl)-2-oxoethyl]sulfanyl-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(1H-benzimidazol-2-yl)-2-keto-ethyl]thio]-6-tert-butyl-4-(trifluoromethyl)nicotinonitrile Formula: C20H17F3N4OS MolecularWeight: 418.43539

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H17F3N4OS/c1-19(2,3)16-8-12(20(21,22)23)11(9-24)18(27-16)29-10-15(28)17-25-13-6-4-5-7-14(13)26-17/h4-8H,10H2,1-3H3,(H,25,26)