2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-cyano-6-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]thio]-N-phenyl-acetamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C22H19N3O3S/c1-27-19-11-9-15(12-20(19)28-2)18-10-8-16(13-23)22(25-18)29-14-21(26)24-17-6-4-3-5-7-17/h3-12H,14H2,1-2H3,(H,24,26)