4-[(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzenesulfonate

Systemtic Name: 4-[(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzenesulfonate Openeye Name: 4-[(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]benzenesulfonate CAS Name: 4-[(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]benzenesulfonate IUPAC Name: 4-[(2E)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzenesulfonate Traditional Name: 4-[(N'E)-N'-[5-keto-3-(4-nitrophenyl)-1-thiocarbamoyl-2-pyrazolin-4-ylidene]hydrazino]besylate Formula: C16H11N6O6S2- MolecularWeight: 447.42514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)[O-])C(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C\2=NN(C(=O)/C2=N/NC3=CC=C(C=C3)S(=O)(=O)[O-])C(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O6S2/c17-16(29)21-15(23)14(13(20-21)9-1-5-11(6-2-9)22(24)25)19-18-10-3-7-12(8-4-10)30(26,27)28/h1-8,18H,(H2,17,29)(H,26,27,28)/p-1/b19-14+