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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]thio]-N-veratryl-acetamide Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O5S/c1-29-19-7-3-15(9-21(19)30-2)12-26-23(28)13-33-24-17(11-25)4-6-18(27-24)16-5-8-20-22(10-16)32-14-31-20/h3-10H,12-14H2,1-2H3,(H,26,28)