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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(3,4-dimethoxyphenyl)-2-(4-pyridylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(3,4-dimethoxyphenyl)-2-(pyridin-4-ylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(3,4-dimethoxyphenyl)-2-(4-pyridylmethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C21H16F3N3O2S MolecularWeight: 431.43085

Click to see the large picture

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=NC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H16F3N3O2S/c1-28-18-4-3-14(9-19(18)29-2)17-10-16(21(22,23)24)15(11-25)20(27-17)30-12-13-5-7-26-8-6-13/h3-10H,12H2,1-2H3