2-butylsulfanyl-6-[4-[(4-fluorophenyl)methoxy]phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-butylsulfanyl-6-[4-[(4-fluorophenyl)methoxy]phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-butylsulfanyl-6-[4-[(4-fluorophenyl)methoxy]phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(butylthio)-6-[4-[(4-fluorophenyl)methoxy]phenyl]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-butylsulfanyl-6-[4-[(4-fluorophenyl)methoxy]phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(butylthio)-6-[4-(4-fluorobenzyl)oxyphenyl]-4-(trifluoromethyl)nicotinonitrile Formula: C24H20F4N2OS MolecularWeight: 460.487013

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(F)(F)F)C#N

Isomeric SMILES

CCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(F)(F)F)C#N

InChI

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