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CHEBI:184678 - 1-[2,4-dichloro-5-(Methylsulfonylamino)phenyl]-3-(hydroxymethyl)-4-(difluoromethyl)-1H-1,2,4-triazol-5(4H)-one

ChEBI IDCHEBI:184678
ChEBI Name1-[2,4-dichloro-5-(Methylsulfonylamino)phenyl]-3-(hydroxymethyl)-4-(difluoromethyl)-1H-1,2,4-triazol-5(4H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H10Cl2F2N4O4S
Net Charge0
Average Mass403.194
Monoisotopic Mass401.97679
SMILESCS(=O)(=O)Nc1cc(-n2nc(CO)n(C(F)F)c2=O)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2F2N4O4S/c1-24(22,23)17-7-3-8(6(13)2-5(7)12)19-11(21)18(10(14)15)9(4-20)16-19/h2-3,10,17,20H,4H2,1H3
InChIKeyJZJKMWPTUGSZCH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
1-[2,4-dichloro-5-(Methylsulfonylamino)phenyl]-3-(hydroxymethyl)-4-(difluoromethyl)-1H-1,2,4-triazol-5(4H)-one (CHEBI:184678) is a triazoles (CHEBI:35727)
IUPAC Name 
N-[2,4-dichloro-5-[4-(diluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulonamide
Manual XrefsDatabases
16736430ChemSpider