N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=NN3)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=NN3)OCO2

InChI

InChI=1S/C13H12N4O4S/c1-7(18)8-2-10-11(21-6-20-10)3-9(8)16-12(19)4-22-13-14-5-15-17-13/h2-3,5H,4,6H2,1H3,(H,16,19)(H,14,15,17)