6-(3,4-dimethoxyphenyl)-2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(3,4-dimethoxyphenyl)-2-(phenylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C22H17F3N2O2S MolecularWeight: 430.44279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H17F3N2O2S/c1-28-19-9-8-15(10-20(19)29-2)18-11-17(22(23,24)25)16(12-26)21(27-18)30-13-14-6-4-3-5-7-14/h3-11H,13H2,1-2H3