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CHEBI:121640 - 2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-1H-pyrazol-3-one

ChEBI IDCHEBI:121640
ChEBI Name2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-1H-pyrazol-3-one
Stars
DownloadsMolfile
FormulaC14H17ClN2OS
Net Charge0
Average Mass296.823
Monoisotopic Mass296.07501
SMILESCc1nn(C(C)(C)C)c(=O)c1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2OS/c1-9-12(13(18)17(16-9)14(2,3)4)19-11-7-5-10(15)6-8-11/h5-8,16H,1-4H3
InChIKeyORJGIKCWFUFXCO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-1H-pyrazol-3-one (CHEBI:121640) is a aryl sulfide (CHEBI:35683)
Manual XrefsDatabases
LSM-33083LINCS