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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14N4O3S/c1-17-7-15-16-13(17)21-6-12(18)14-5-9-2-3-10-11(4-9)20-8-19-10/h2-4,7H,5-6,8H2,1H3,(H,14,18)