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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

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