2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C23H19N3O5S MolecularWeight: 449.47906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC4=C(C=C3)OCO4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=CC(=N2)C3=CC4=C(C=C3)OCO4)C#N)OC

InChI

InChI=1S/C23H19N3O5S/c1-28-18-8-5-16(10-20(18)29-2)25-22(27)12-32-23-15(11-24)3-6-17(26-23)14-4-7-19-21(9-14)31-13-30-19/h3-10H,12-13H2,1-2H3,(H,25,27)