1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-4-triazolecarboxylate IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]triazole-4-carboxylate Formula: C14H11N8O3S- MolecularWeight: 371.35394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=C(N=NN3C4=NON=C4N)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=C(N=NN3C4=NON=C4N)C(=O)[O-]

InChI

InChI=1S/C14H12N8O3S/c1-6-2-3-7-8(4-6)17-14(16-7)26-5-9-10(13(23)24)18-21-22(9)12-11(15)19-25-20-12/h2-4H,5H2,1H3,(H2,15,19)(H,16,17)(H,23,24)/p-1