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

Systemtic Name: 2-ethylsulfanyl-6-[4-[(4-fluorophenyl)methoxy]phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-ethylsulfanyl-6-[4-[(4-fluorophenyl)methoxy]phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(ethylthio)-6-[4-[(4-fluorophenyl)methoxy]phenyl]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-ethylsulfanyl-6-[4-[(4-fluorophenyl)methoxy]phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(ethylthio)-6-[4-(4-fluorobenzyl)oxyphenyl]-4-(trifluoromethyl)nicotinonitrile Formula: C22H16F4N2OS MolecularWeight: 432.433853

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(F)(F)F)C#N

Isomeric SMILES

CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(F)(F)F)C#N

InChI

InChI=1S/C22H16F4N2OS/c1-2-30-21-18(12-27)19(22(24,25)26)11-20(28-21)15-5-9-17(10-6-15)29-13-14-3-7-16(23)8-4-14/h3-11H,2,13H2,1H3