(4E)-4-[(4-methoxy-2-nitro-phenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide

Systemtic Name: (4E)-4-[(4-methoxy-2-nitro-phenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: (4E)-4-[(4-methoxy-2-nitro-phenyl)hydrazono]-3-(4-nitrophenyl)-5-oxo-pyrazole-1-carbothioamide CAS Name: (4E)-4-[(4-methoxy-2-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide IUPAC Name: (4E)-4-[(4-methoxy-2-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxopyrazole-1-carbothioamide Traditional Name: (4E)-5-keto-4-[(4-methoxy-2-nitro-phenyl)hydrazono]-3-(4-nitrophenyl)-2-pyrazoline-1-carbothioamide Formula: C17H13N7O6S MolecularWeight: 443.39342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N/N=C/2\C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O6S/c1-30-11-6-7-12(13(8-11)24(28)29)19-20-15-14(21-22(16(15)25)17(18)31)9-2-4-10(5-3-9)23(26)27/h2-8,19H,1H3,(H2,18,31)/b20-15+