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CHEBI:105237 - 1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone

ChEBI IDCHEBI:105237
ChEBI Name1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone
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DownloadsMolfile
FormulaC13H14ClN3OS
Net Charge0
Average Mass295.795
Monoisotopic Mass295.05461
SMILESCCCC(=O)n1nc(-c2ccc(Cl)cc2)nc1SC
InChIInChI=1S/C13H14ClN3OS/c1-3-4-11(18)17-13(19-2)15-12(16-17)9-5-7-10(14)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyBFYHOQGOVSWQLP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone (CHEBI:105237) is a triazoles (CHEBI:35727)
Manual XrefsDatabases
LSM-16600LINCS