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

Systemtic Name: 3-(4-nitrophenyl)-4-[(4-nitrophenyl)hydrazinylidene]-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: 3-(4-nitrophenyl)-4-[(4-nitrophenyl)hydrazono]-5-oxo-pyrazole-1-carbothioamide CAS Name: 3-(4-nitrophenyl)-4-[(4-nitrophenyl)hydrazinylidene]-5-oxo-1-pyrazolecarbothioamide IUPAC Name: 3-(4-nitrophenyl)-4-[(4-nitrophenyl)hydrazinylidene]-5-oxopyrazole-1-carbothioamide Traditional Name: 5-keto-3-(4-nitrophenyl)-4-[(4-nitrophenyl)hydrazono]-2-pyrazoline-1-carbothioamide Formula: C16H11N7O5S MolecularWeight: 413.36744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N7O5S/c17-16(29)21-15(24)14(19-18-10-3-7-12(8-4-10)23(27)28)13(20-21)9-1-5-11(6-2-9)22(25)26/h1-8,18H,(H2,17,29)