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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H9N3O4S MolecularWeight: 279.27186

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=NN3)SCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=NN3)SCC(=O)O

InChI

InChI=1S/C11H9N3O4S/c15-9(16)4-19-11-12-10(13-14-11)6-1-2-7-8(3-6)18-5-17-7/h1-3H,4-5H2,(H,15,16)(H,12,13,14)