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

Systemtic Name: 6-(4-methylphenyl)-2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(p-tolyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-methylphenyl)-2-(phenylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-6-(p-tolyl)-4-(trifluoromethyl)nicotinonitrile Formula: C21H15F3N2S MolecularWeight: 384.41741

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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)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C21H15F3N2S/c1-14-7-9-16(10-8-14)19-11-18(21(22,23)24)17(12-25)20(26-19)27-13-15-5-3-2-4-6-15/h2-11H,13H2,1H3