CHEBI:109569 - 4-[(3-chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[(3-chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide
ChEBI ID CHEBI:109569
Stars This entity has been manually annotated by a third party.
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Formula C16H11ClN6O3S
Net Charge 0
Average Mass 402.817
Monoisotopic Mass 402.03019
InChI InChI=1S/C16H11ClN6O3S/c17-10-2-1-3-11(8-10)19-20-14-13(21-22(15(14)24)16(18)27)9-4-6-12(7-5-9)23(25)26/h1-8,19H,(H2,18,27)
InChIKey KEGCNUJUOQDNDD-UHFFFAOYSA-N
SMILES C1=CC(=CC(=C1)Cl)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]
ChEBI Ontology
Outgoing 4-[(3-chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide (CHEBI:109569) is a C-nitro compound (CHEBI:35716)
Manual Xref Database
LSM-20997 LINCS
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