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

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C16H18N4O4S/c1-3-4-14-18-16(20-19-14)25-7-15(22)17-11-6-13-12(23-8-24-13)5-10(11)9(2)21/h5-6H,3-4,7-8H2,1-2H3,(H,17,22)(H,18,19,20)