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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H11N3O4S/c1-15-11(13-14-12(15)20-5-10(16)17)7-2-3-8-9(4-7)19-6-18-8/h2-4H,5-6H2,1H3,(H,16,17)