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

Systemtic Name: 6-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-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=CC=C3F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3F

InChI

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