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

Systemtic Name: 2-(cyanomethylsulfanyl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-(cyanomethylsulfanyl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-(cyanomethylthio)-6-(3,4-dimethoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-(cyanomethylsulfanyl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-(cyanomethylthio)-6-(3,4-dimethoxyphenyl)nicotinonitrile Formula: C16H13N3O2S MolecularWeight: 311.35832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2S/c1-20-14-6-4-11(9-15(14)21-2)13-5-3-12(10-18)16(19-13)22-8-7-17/h3-6,9H,8H2,1-2H3