4-[[2,6-bis(chloranyl)-4-nitro-phenyl]hydrazinylidene]-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide

Systemtic Name: 4-[[2,6-bis(chloranyl)-4-nitro-phenyl]hydrazinylidene]-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: 4-[(2,6-dichloro-4-nitro-phenyl)hydrazono]-3-(4-nitrophenyl)-5-oxo-pyrazole-1-carbothioamide CAS Name: 4-[(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide IUPAC Name: 4-[(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxopyrazole-1-carbothioamide Traditional Name: 4-[(2,6-dichloro-4-nitro-phenyl)hydrazono]-5-keto-3-(4-nitrophenyl)-2-pyrazoline-1-carbothioamide Formula: C16H9Cl2N7O5S MolecularWeight: 482.25756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)C(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)C(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C16H9Cl2N7O5S/c17-10-5-9(25(29)30)6-11(18)13(10)20-21-14-12(22-23(15(14)26)16(19)31)7-1-3-8(4-2-7)24(27)28/h1-6,20H,(H2,19,31)