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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-propoxyphenyl)-2-(p-tolylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(4-methylphenyl)methylthio]-6-(4-propoxyphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-methylbenzyl)thio]-6-(4-propoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C24H21F3N2OS MolecularWeight: 442.49655

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)C

InChI

InChI=1S/C24H21F3N2OS/c1-3-12-30-19-10-8-18(9-11-19)22-13-21(24(25,26)27)20(14-28)23(29-22)31-15-17-6-4-16(2)5-7-17/h4-11,13H,3,12,15H2,1-2H3