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

Systemtic Name: 6-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-fluorobenzyl)thio]-6-p-phenetyl-4-(trifluoromethyl)nicotinonitrile Formula: C22H16F4N2OS MolecularWeight: 432.433853

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)F

InChI

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