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

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-4-triazolecarboxylate IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(phenylthio)methyl]triazole-4-carboxylate Formula: C12H9N6O3S- MolecularWeight: 317.30326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)[O-]

InChI

InChI=1S/C12H10N6O3S/c13-10-11(16-21-15-10)18-8(9(12(19)20)14-17-18)6-22-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,15)(H,19,20)/p-1