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

Systemtic Name: 4-[[4-chloranyl-2-(phenylcarbonyl)phenyl]hydrazinylidene]-3-(4-nitrophenyl)-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: 4-[(2-benzoyl-4-chloro-phenyl)hydrazono]-3-(4-nitrophenyl)-5-oxo-pyrazole-1-carbothioamide CAS Name: 4-[(2-benzoyl-4-chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide IUPAC Name: 4-[(2-benzoyl-4-chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxopyrazole-1-carbothioamide Traditional Name: 4-[(2-benzoyl-4-chloro-phenyl)hydrazono]-5-keto-3-(4-nitrophenyl)-2-pyrazoline-1-carbothioamide Formula: C23H15ClN6O4S MolecularWeight: 506.921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NN=C3C(=NN(C3=O)C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NN=C3C(=NN(C3=O)C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H15ClN6O4S/c24-15-8-11-18(17(12-15)21(31)14-4-2-1-3-5-14)26-27-20-19(28-29(22(20)32)23(25)35)13-6-9-16(10-7-13)30(33)34/h1-12,26H,(H2,25,35)