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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H12N3O5S- MolecularWeight: 322.31648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])COC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])COC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H13N3O5S/c1-16-11(14-15-13(16)22-6-12(17)18)5-19-8-2-3-9-10(4-8)21-7-20-9/h2-4H,5-7H2,1H3,(H,17,18)/p-1