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

Systemtic Name: 6-(4-butoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-butoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-butoxyphenyl)-2-[(4-fluorophenyl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-butoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-butoxyphenyl)-2-[(4-fluorobenzyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C24H20F4N2OS MolecularWeight: 460.487013

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C24H20F4N2OS/c1-2-3-12-31-19-10-6-17(7-11-19)22-13-21(24(26,27)28)20(14-29)23(30-22)32-15-16-4-8-18(25)9-5-16/h4-11,13H,2-3,12,15H2,1H3