4-[(4-chloranyl-3-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-3-phenyl-pyrazole-1-carbothioamide

Systemtic Name: 4-[(4-chloranyl-3-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-3-phenyl-pyrazole-1-carbothioamide Openeye Name: 4-[(4-chloro-3-nitro-phenyl)hydrazono]-5-oxo-3-phenyl-pyrazole-1-carbothioamide CAS Name: 4-[(4-chloro-3-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-1-pyrazolecarbothioamide IUPAC Name: 4-[(4-chloro-3-nitrophenyl)hydrazinylidene]-5-oxo-3-phenylpyrazole-1-carbothioamide Traditional Name: 4-[(4-chloro-3-nitro-phenyl)hydrazono]-5-keto-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C16H11ClN6O3S MolecularWeight: 402.81494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN6O3S/c17-11-7-6-10(8-12(11)23(25)26)19-20-14-13(9-4-2-1-3-5-9)21-22(15(14)24)16(18)27/h1-8,19H,(H2,18,27)