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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14N4O3S/c1-2-11-15-13(17-16-11)21-6-12(18)14-8-3-4-9-10(5-8)20-7-19-9/h3-5H,2,6-7H2,1H3,(H,14,18)(H,15,16,17)