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

Systemtic Name: 6-(4-butoxyphenyl)-2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(4-butoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-butoxyphenyl)-2-(phenylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-6-(4-butoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-6-(4-butoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C24H21F3N2OS MolecularWeight: 442.49655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3

InChI

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