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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC3=C(C=C2)OCCO3)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC3=C(C=C2)OCCO3)SCC(=O)[O-]

InChI

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