1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)triazole-4-carboxylic acid CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-benzimidazol-2-ylthio)methyl]-4-triazolecarboxylic acid IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)triazole-4-carboxylic acid Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(1H-benzimidazol-2-ylthio)methyl]triazole-4-carboxylic acid Formula: C13H10N8O3S MolecularWeight: 358.3353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=C(N=NN3C4=NON=C4N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=C(N=NN3C4=NON=C4N)C(=O)O

InChI

InChI=1S/C13H10N8O3S/c14-10-11(19-24-18-10)21-8(9(12(22)23)17-20-21)5-25-13-15-6-3-1-2-4-7(6)16-13/h1-4H,5H2,(H2,14,18)(H,15,16)(H,22,23)