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CHEBI:190662 - 3-[(4-chlorobenzyl)thio]-4-methyl-5-undecyl-4H-1,2,4-triazole

ChEBI IDCHEBI:190662
ChEBI Name3-[(4-chlorobenzyl)thio]-4-methyl-5-undecyl-4H-1,2,4-triazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32ClN3S
Net Charge0
Average Mass394.028
Monoisotopic Mass393.20055
SMILESCCCCCCCCCCCc1nnc(SCc2ccc(Cl)cc2)n1C
InChIInChI=1S/C21H32ClN3S/c1-3-4-5-6-7-8-9-10-11-12-20-23-24-21(25(20)2)26-17-18-13-15-19(22)16-14-18/h13-16H,3-12,17H2,1-2H3
InChIKeyJHBYTGAANRIXPW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
3-[(4-chlorobenzyl)thio]-4-methyl-5-undecyl-4H-1,2,4-triazole (CHEBI:190662) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
3-[(4-chlorophenyl)methylsulanyl]-4-methyl-5-undecyl-1,2,4-triazole
Manual XrefsDatabases
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