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

Systemtic Name: 6-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-(p-tolylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[(4-methylphenyl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-[(4-methylbenzyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C22H17F3N2OS MolecularWeight: 414.44339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C(F)(F)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C(F)(F)F)C#N

InChI

InChI=1S/C22H17F3N2OS/c1-14-3-5-15(6-4-14)13-29-21-18(12-26)19(22(23,24)25)11-20(27-21)16-7-9-17(28-2)10-8-16/h3-11H,13H2,1-2H3