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

Systemtic Name: 2-(cyanomethylsulfanyl)-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(cyanomethylsulfanyl)-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(cyanomethylthio)-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(cyanomethylsulfanyl)-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(cyanomethylthio)-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C17H12F3N3O2S MolecularWeight: 379.35629

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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)SCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC#N)OC

InChI

InChI=1S/C17H12F3N3O2S/c1-24-14-4-3-10(7-15(14)25-2)13-8-12(17(18,19)20)11(9-22)16(23-13)26-6-5-21/h3-4,7-8H,6H2,1-2H3