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

Systemtic Name: 4-[(3-nitrophenyl)hydrazinylidene]-5-oxidanylidene-3-phenyl-pyrazole-1-carbothioamide Openeye Name: 4-[(3-nitrophenyl)hydrazono]-5-oxo-3-phenyl-pyrazole-1-carbothioamide CAS Name: 4-[(3-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-1-pyrazolecarbothioamide IUPAC Name: 4-[(3-nitrophenyl)hydrazinylidene]-5-oxo-3-phenylpyrazole-1-carbothioamide Traditional Name: 5-keto-4-[(3-nitrophenyl)hydrazono]-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C16H12N6O3S MolecularWeight: 368.36988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N6O3S/c17-16(26)21-15(23)14(13(20-21)10-5-2-1-3-6-10)19-18-11-7-4-8-12(9-11)22(24)25/h1-9,18H,(H2,17,26)