2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H12N3O4S- MolecularWeight: 306.31708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C13H13N3O4S/c1-16-12(14-15-13(16)21-7-11(17)18)8-2-3-9-10(6-8)20-5-4-19-9/h2-3,6H,4-5,7H2,1H3,(H,17,18)/p-1