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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N)COC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N)COC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14N4O4S/c1-17-12(15-16-13(17)22-6-11(14)18)5-19-8-2-3-9-10(4-8)21-7-20-9/h2-4H,5-7H2,1H3,(H2,14,18)