1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]-4-triazolecarboxylate IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]triazole-4-carboxylate Formula: C13H8N7O3S2- MolecularWeight: 374.37772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=C(N=NN3C4=NON=C4N)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=C(N=NN3C4=NON=C4N)C(=O)[O-]

InChI

InChI=1S/C13H9N7O3S2/c14-10-11(18-23-17-10)20-7(9(12(21)22)16-19-20)5-24-13-15-6-3-1-2-4-8(6)25-13/h1-4H,5H2,(H2,14,17)(H,21,22)/p-1