2-(cyanomethylsulfanyl)-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(cyanomethylsulfanyl)-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(cyanomethylsulfanyl)-6-(p-tolyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(cyanomethylthio)-6-(4-methylphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(cyanomethylsulfanyl)-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(cyanomethylthio)-6-(p-tolyl)-4-(trifluoromethyl)nicotinonitrile Formula: C16H10F3N3S MolecularWeight: 333.33091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC#N

InChI

InChI=1S/C16H10F3N3S/c1-10-2-4-11(5-3-10)14-8-13(16(17,18)19)12(9-21)15(22-14)23-7-6-20/h2-5,8H,7H2,1H3