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CHEBI:194275 - 5-nitro-2-{[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}pyridine

ChEBI IDCHEBI:194275
ChEBI Name5-nitro-2-{[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}pyridine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H4F3N5O2S
Net Charge0
Average Mass291.214
Monoisotopic Mass291.00378
SMILESO=[N+]([O-])c1ccc(Sc2nnc(C(F)(F)F)n2)nc1
InChIInChI=1S/C8H4F3N5O2S/c9-8(10,11)6-13-7(15-14-6)19-5-2-1-4(3-12-5)16(17)18/h1-3H,(H,13,14,15)
InChIKeyTVMKMQQASWRLIW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) peripheral blood mononuclear cell (BTO:0001025) MetaboLights (MTBLS6661)
ChEBI Ontology
Outgoing Relation(s)
5-nitro-2-{[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}pyridine (CHEBI:194275) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
5-nitro-2-[[5-(triluoromethyl)-1H-1,2,4-triazol-3-yl]sulanyl]pyridine
Manual XrefsDatabases
2077272ChemSpider