EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:194674 - 1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one

ChEBI IDCHEBI:194674
ChEBI Name1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H11ClN2OS
Net Charge0
Average Mass266.753
Monoisotopic Mass266.02806
SMILESCn1ccnc1SCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2OS/c1-15-7-6-14-12(15)17-8-11(16)9-2-4-10(13)5-3-9/h2-7H,8H2,1H3
InChIKeyTVPWJTHNUYRPAI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one (CHEBI:194674) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulanylethanone
Manual XrefsDatabases
632989ChemSpider