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CHEBI:228467 - 2-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio}-3-nitropyridine

ChEBI IDCHEBI:228467
ChEBI Name2-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio}-3-nitropyridine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H8ClN5O2S
Net Charge0
Average Mass333.760
Monoisotopic Mass333.00872
SMILESO=[N+]([O-])c1cccnc1Sc1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H8ClN5O2S/c14-9-5-3-8(4-6-9)11-16-13(18-17-11)22-12-10(19(20)21)2-1-7-15-12/h1-7H,(H,16,17,18)
InChIKeyJJQVFBQSJCZUGQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio}-3-nitropyridine (CHEBI:228467) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulanyl]-3-nitropyridine
Manual XrefsDatabases
2024731ChemSpider