(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]-5-oxidanylidene-3-phenyl-pyrazole-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N7O5S/c17-16(29)21-15(24)14(13(20-21)9-4-2-1-3-5-9)19-18-11-7-6-10(22(25)26)8-12(11)23(27)28/h1-8,18H,(H2,17,29)/b19-14+