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CHEBI:228687 - 4-methylphenyl 1-ethyl-3-methyl-1H-pyrazole-5-carbothioate

ChEBI IDCHEBI:228687
ChEBI Name4-methylphenyl 1-ethyl-3-methyl-1H-pyrazole-5-carbothioate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16N2OS
Net Charge0
Average Mass260.362
Monoisotopic Mass260.09833
SMILESCCn1nc(C)cc1C(=O)Sc1ccc(C)cc1
InChIInChI=1S/C14H16N2OS/c1-4-16-13(9-11(3)15-16)14(17)18-12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3
InChIKeyCLYQAUKMOGLSRS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
4-methylphenyl 1-ethyl-3-methyl-1H-pyrazole-5-carbothioate (CHEBI:228687) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
S-(4-methylphenyl) 2-ethyl-5-methylpyrazole-3-carbothioate
Manual XrefsDatabases
2025718ChemSpider