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CHEBI:228598 - 2-[(2-chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile

ChEBI IDCHEBI:228598
ChEBI Name2-[(2-chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H13ClN2S
Net Charge0
Average Mass288.803
Monoisotopic Mass288.04880
SMILESCc1cc(C)c(C#N)c(SCc2ccccc2Cl)n1
InChIInChI=1S/C15H13ClN2S/c1-10-7-11(2)18-15(13(10)8-17)19-9-12-5-3-4-6-14(12)16/h3-7H,9H2,1-2H3
InChIKeyPBBYZSMOXFRDSN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-[(2-chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile (CHEBI:228598) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
2-[(2-chlorophenyl)methylsulanyl]-4,6-dimethylpyridine-3-carbonitrile
Manual XrefsDatabases
602449ChemSpider