2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-pyridin-3-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-pyridin-3-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-6-(3-pyridyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-6-(3-pyridinyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-pyridin-3-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-6-(3-pyridyl)-4-(trifluoromethyl)nicotinonitrile Formula: C18H16F3N3OS MolecularWeight: 379.39935

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=C(C(=CC(=N1)C2=CN=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

CC(C)(C)C(=O)CSC1=C(C(=CC(=N1)C2=CN=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C18H16F3N3OS/c1-17(2,3)15(25)10-26-16-12(8-22)13(18(19,20)21)7-14(24-16)11-5-4-6-23-9-11/h4-7,9H,10H2,1-3H3