N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(methylthio)nicotinamide Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=C(N=CC=C3)SC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=C(N=CC=C3)SC)OCO2

InChI

InChI=1S/C16H14N2O4S/c1-9(19)11-6-13-14(22-8-21-13)7-12(11)18-15(20)10-4-3-5-17-16(10)23-2/h3-7H,8H2,1-2H3,(H,18,20)