4-[(E)-N-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,3-triazol-4-yl]carbonylamino]-C-ethyl-carbonimidoyl]phenolate

Systemtic Name: 4-[(E)-N-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,3-triazol-4-yl]carbonylamino]-C-ethyl-carbonimidoyl]phenolate Openeye Name: 4-[(E)-N-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-(p-tolylsulfanylmethyl)triazole-4-carbonyl]amino]-C-ethyl-carbonimidoyl]phenolate CAS Name: 4-[(1E)-1-[[[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-[[(4-methylphenyl)thio]methyl]-4-triazolyl]-oxomethyl]hydrazinylidene]propyl]phenolate IUPAC Name: 4-[(E)-N-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carbonyl]amino]-C-ethylcarbonimidoyl]phenolate Traditional Name: 4-[(E)-N-[[1-(4-ammoniofurazan-3-yl)-5-[(p-tolylthio)methyl]triazole-4-carbonyl]amino]-C-ethyl-carbonimidoyl]phenolate Formula: C22H22N8O3S MolecularWeight: 478.52688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2[NH3+])CSC3=CC=C(C=C3)C)C4=CC=C(C=C4)[O-]

Isomeric SMILES

CC/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2[NH3+])CSC3=CC=C(C=C3)C)/C4=CC=C(C=C4)[O-]

InChI

InChI=1S/C22H22N8O3S/c1-3-17(14-6-8-15(31)9-7-14)24-26-22(32)19-18(12-34-16-10-4-13(2)5-11-16)30(29-25-19)21-20(23)27-33-28-21/h4-11,31H,3,12H2,1-2H3,(H2,23,27)(H,26,32)/b24-17+