CHEBI:107883 - 1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone

ChEBI IDCHEBI:107883
ChEBI Name1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone
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DownloadsMolfile
FormulaC12H12ClN3OS
Net Charge0
Average Mass281.768
Monoisotopic Mass281.03896
SMILESCCC(=O)n1nc(-c2ccc(Cl)cc2)nc1SC
InChIInChI=1S/C12H12ClN3OS/c1-3-10(17)16-12(18-2)14-11(15-16)8-4-6-9(13)7-5-8/h4-7H,3H2,1-2H3
InChIKeyFOVVBQGJNFWDHB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone (CHEBI:107883) is a triazoles (CHEBI:35727)
Manual XrefsDatabases
LSM-19260LINCS