N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4)OCO2

InChI

InChI=1S/C19H16N4O4S/c1-12(24)14-7-16-17(27-11-26-16)8-15(14)21-18(25)9-28-19-20-10-23(22-19)13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,21,25)