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

Systemtic Name: 4-[(2-methyl-3-nitro-phenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: 4-[(2-methyl-3-nitro-phenyl)hydrazono]-3-(4-nitrophenyl)-5-oxo-pyrazole-1-carbothioamide CAS Name: 4-[(2-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide IUPAC Name: 4-[(2-methyl-3-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxopyrazole-1-carbothioamide Traditional Name: 5-keto-4-[(2-methyl-3-nitro-phenyl)hydrazono]-3-(4-nitrophenyl)-2-pyrazoline-1-carbothioamide Formula: C17H13N7O5S MolecularWeight: 427.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O5S/c1-9-12(3-2-4-13(9)24(28)29)19-20-15-14(21-22(16(15)25)17(18)30)10-5-7-11(8-6-10)23(26)27/h2-8,19H,1H3,(H2,18,30)