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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C18H17N3O3S/c1-10-11(2)14(7-19)18(20-12(10)3)25-8-17(22)21-13-4-5-15-16(6-13)24-9-23-15/h4-6H,8-9H2,1-3H3,(H,21,22)