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

Systemtic Name: 6-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-ethoxyphenyl)-2-(p-tolylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-methylbenzyl)thio]-6-p-phenetyl-4-(trifluoromethyl)nicotinonitrile Formula: C23H19F3N2OS MolecularWeight: 428.46997

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)C

InChI

InChI=1S/C23H19F3N2OS/c1-3-29-18-10-8-17(9-11-18)21-12-20(23(24,25)26)19(13-27)22(28-21)30-14-16-6-4-15(2)5-7-16/h4-12H,3,14H2,1-2H3