2-[(4-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(p-tolyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-6-(4-methylphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-6-(p-tolyl)-4-(trifluoromethyl)nicotinonitrile Formula: C21H14ClF3N2S MolecularWeight: 418.86247

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClF3N2S/c1-13-2-6-15(7-3-13)19-10-18(21(23,24)25)17(11-26)20(27-19)28-12-14-4-8-16(22)9-5-14/h2-10H,12H2,1H3