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

Systemtic Name: 2-[[4-azanyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H10N4O4S MolecularWeight: 294.2865

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3N)SCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3N)SCC(=O)O

InChI

InChI=1S/C11H10N4O4S/c12-15-10(13-14-11(15)20-4-9(16)17)6-1-2-7-8(3-6)19-5-18-7/h1-3H,4-5,12H2,(H,16,17)