6-[(3,4-dimethoxyphenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-[(3,4-dimethoxyphenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-[(3,4-dimethoxyphenyl)methyl]-2-(3-pyridylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-[(3,4-dimethoxyphenyl)methyl]-2-(3-pyridinylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-[(3,4-dimethoxyphenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(3-pyridylmethylthio)-4-(trifluoromethyl)-6-veratryl-nicotinonitrile Formula: C22H18F3N3O2S MolecularWeight: 445.45743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CN=CC=C3)OC

InChI

InChI=1S/C22H18F3N3O2S/c1-29-19-6-5-14(9-20(19)30-2)8-16-10-18(22(23,24)25)17(11-26)21(28-16)31-13-15-4-3-7-27-12-15/h3-7,9-10,12H,8,13H2,1-2H3