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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-6-methyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C14H15F3N2OS MolecularWeight: 316.34191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)C(C)(C)C

InChI

InChI=1S/C14H15F3N2OS/c1-8-5-10(14(15,16)17)9(6-18)12(19-8)21-7-11(20)13(2,3)4/h5H,7H2,1-4H3