EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:183790 - 4-[2-(trifluoromethyl)phenyl]-5-undecyl-4H-1,2,4-triazole-3-thiol

ChEBI IDCHEBI:183790
ChEBI Name4-[2-(trifluoromethyl)phenyl]-5-undecyl-4H-1,2,4-triazole-3-thiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28F3N3S
Net Charge0
Average Mass399.526
Monoisotopic Mass399.19560
SMILESCCCCCCCCCCCc1nnc(=S)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H28F3N3S/c1-2-3-4-5-6-7-8-9-10-15-18-24-25-19(27)26(18)17-14-12-11-13-16(17)20(21,22)23/h11-14H,2-10,15H2,1H3,(H,25,27)
InChIKeyQTDLPVFLSNWEIY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
4-[2-(trifluoromethyl)phenyl]-5-undecyl-4H-1,2,4-triazole-3-thiol (CHEBI:183790) is a triazoles (CHEBI:35727)
IUPAC Name 
4-[2-(triluoromethyl)phenyl]-3-undecyl-1H-1,2,4-triazole-5-thione
Manual XrefsDatabases
2025157ChemSpider