6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C17H13F3N2OS MolecularWeight: 350.35813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C)C(F)(F)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=N2)C)C(F)(F)F)C#N

InChI

InChI=1S/C17H13F3N2OS/c1-10-3-5-12(6-4-10)15(23)9-24-16-13(8-21)14(17(18,19)20)7-11(2)22-16/h3-7H,9H2,1-2H3