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

Systemtic Name: 2-[[4-azanyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H11N4O4S- MolecularWeight: 307.30514

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN=C(N3N)SCC(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN=C(N3N)SCC(=O)[O-]

InChI

InChI=1S/C12H12N4O4S/c13-16-11(14-15-12(16)21-6-10(17)18)7-1-2-8-9(5-7)20-4-3-19-8/h1-2,5H,3-4,6,13H2,(H,17,18)/p-1