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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C24H21N3O6S MolecularWeight: 479.50504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=C(C=CC(=N2)C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=C(C=CC(=N2)C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C24H21N3O6S/c1-29-20-9-16(10-21(30-2)23(20)31-3)26-22(28)12-34-24-15(11-25)4-6-17(27-24)14-5-7-18-19(8-14)33-13-32-18/h4-10H,12-13H2,1-3H3,(H,26,28)