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

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C18H17N3O3S/c1-11-7-12(2)20-18(14(11)9-19)25-10-17(22)21-13-3-4-15-16(8-13)24-6-5-23-15/h3-4,7-8H,5-6,10H2,1-2H3,(H,21,22)