6-(4-ethoxyphenyl)-2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-ethoxyphenyl)-2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-ethoxyphenyl)-2-(phenylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-6-p-phenetyl-4-(trifluoromethyl)nicotinonitrile Formula: C22H17F3N2OS MolecularWeight: 414.44339

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H17F3N2OS/c1-2-28-17-10-8-16(9-11-17)20-12-19(22(23,24)25)18(13-26)21(27-20)29-14-15-6-4-3-5-7-15/h3-12H,2,14H2,1H3