3-(4-nitrophenyl)-5-oxidanylidene-4-[(4-sulfamoylphenyl)hydrazinylidene]pyrazole-1-carbothioamide

Systemtic Name: 3-(4-nitrophenyl)-5-oxidanylidene-4-[(4-sulfamoylphenyl)hydrazinylidene]pyrazole-1-carbothioamide Openeye Name: 3-(4-nitrophenyl)-5-oxo-4-[(4-sulfamoylphenyl)hydrazono]pyrazole-1-carbothioamide CAS Name: 3-(4-nitrophenyl)-5-oxo-4-[(4-sulfamoylphenyl)hydrazinylidene]-1-pyrazolecarbothioamide IUPAC Name: 3-(4-nitrophenyl)-5-oxo-4-[(4-sulfamoylphenyl)hydrazinylidene]pyrazole-1-carbothioamide Traditional Name: 5-keto-3-(4-nitrophenyl)-4-[(4-sulfamoylphenyl)hydrazono]-2-pyrazoline-1-carbothioamide Formula: C16H13N7O5S2 MolecularWeight: 447.44832

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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)N)C(=S)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13N7O5S2/c17-16(29)22-15(24)14(13(21-22)9-1-5-11(6-2-9)23(25)26)20-19-10-3-7-12(8-4-10)30(18,27)28/h1-8,19H,(H2,17,29)(H2,18,27,28)