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CHEBI:228583 - 3-[5-(benzylthio)-4-methyl-4H-1,2,4-triazol-3-yl]-5-oct-1-ynylpyridine

ChEBI IDCHEBI:228583
ChEBI Name3-[5-(benzylthio)-4-methyl-4H-1,2,4-triazol-3-yl]-5-oct-1-ynylpyridine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26N4S
Net Charge0
Average Mass390.556
Monoisotopic Mass390.18782
SMILESCCCCCCC#Cc1cncc(-c2nnc(SCc3ccccc3)n2C)c1
InChIInChI=1S/C23H26N4S/c1-3-4-5-6-7-9-14-20-15-21(17-24-16-20)22-25-26-23(27(22)2)28-18-19-12-10-8-11-13-19/h8,10-13,15-17H,3-7,18H2,1-2H3
InChIKeyAQWTXPJMHNDSQP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
3-[5-(benzylthio)-4-methyl-4H-1,2,4-triazol-3-yl]-5-oct-1-ynylpyridine (CHEBI:228583) is a triazoles (CHEBI:35727)
IUPAC Name 
3-(5-benzylsulanyl-4-methyl-1,2,4-triazol-3-yl)-5-oct-1-ynylpyridine
Manual XrefsDatabases
2101205ChemSpider