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

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H10N3O4S- MolecularWeight: 292.2905

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C=NN=C3SCC(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C=NN=C3SCC(=O)[O-]

InChI

InChI=1S/C12H11N3O4S/c16-11(17)6-20-12-14-13-7-15(12)8-1-2-9-10(5-8)19-4-3-18-9/h1-2,5,7H,3-4,6H2,(H,16,17)/p-1