1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(p-tolylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(4-methylphenyl)thio]methyl]-4-triazolecarboxylate IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[(p-tolylthio)methyl]triazole-4-carboxylate Formula: C13H11N6O3S- MolecularWeight: 331.32984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)[O-]

InChI

InChI=1S/C13H12N6O3S/c1-7-2-4-8(5-3-7)23-6-9-10(13(20)21)15-18-19(9)12-11(14)16-22-17-12/h2-5H,6H2,1H3,(H2,14,16)(H,20,21)/p-1