2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C21H20N4O3S/c1-14-10-15(2)24-21(17(14)12-23)29-13-20(26)25(7-3-6-22)16-4-5-18-19(11-16)28-9-8-27-18/h4-5,10-11H,3,7-9,13H2,1-2H3