EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:94274 - 2-(4-chlorophenyl)-6-(phenacylthio)-2,3-dihydrothiopyran-4-one

ChEBI IDCHEBI:94274
ChEBI Name2-(4-chlorophenyl)-6-(phenacylthio)-2,3-dihydrothiopyran-4-one
Stars
DownloadsMolfile
FormulaC19H15ClO2S2
Net Charge0
Average Mass374.914
Monoisotopic Mass374.02020
SMILESO=C1C=C(SCC(=O)c2ccccc2)SC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H15ClO2S2/c20-15-8-6-14(7-9-15)18-10-16(21)11-19(24-18)23-12-17(22)13-4-2-1-3-5-13/h1-9,11,18H,10,12H2
InChIKeyHRCGRIXGOJSKBC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(4-chlorophenyl)-6-(phenacylthio)-2,3-dihydrothiopyran-4-one (CHEBI:94274) is a aromatic ketone (CHEBI:76224)
Manual XrefsDatabases
LSM-4901LINCS