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

Systemtic Name: 6-(4-butoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-butoxyphenyl)-2-(p-tolylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-butoxyphenyl)-2-[(4-methylphenyl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-butoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-butoxyphenyl)-2-[(4-methylbenzyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C25H23F3N2OS MolecularWeight: 456.52313

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23F3N2OS/c1-3-4-13-31-20-11-9-19(10-12-20)23-14-22(25(26,27)28)21(15-29)24(30-23)32-16-18-7-5-17(2)6-8-18/h5-12,14H,3-4,13,16H2,1-2H3