4-methyl-3-(methylthio)-5-undecyl-4H-1,2,4-triazole (CHEBI:190571)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190571 - 4-methyl-3-(methylthio)-5-undecyl-4H-1,2,4-triazole

Take structure to advanced search

ChEBI ID	CHEBI:190571
ChEBI Name	4-methyl-3-(methylthio)-5-undecyl-4H-1,2,4-triazole
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H29N3S
Net Charge	0
Average Mass	283.485
Monoisotopic Mass	283.20822
SMILES	CCCCCCCCCCCc1nnc(SC)n1C
InChI	InChI=1S/C15H29N3S/c1-4-5-6-7-8-9-10-11-12-13-14-16-17-15(19-3)18(14)2/h4-13H2,1-3H3
InChIKey	MSUWRJZRLPTDBG-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Rattus norvegicus (ncbitaxon:10116)	liver (BTO:0000759)	MetaboLights (MTBLS4163)

ChEBI Ontology

Outgoing Relation(s)
	4-methyl-3-(methylthio)-5-undecyl-4H-1,2,4-triazole (CHEBI:190571) is a aryl sulfide (CHEBI:35683)

IUPAC Name
4-methyl-3-methylsulanyl-5-undecyl-1,2,4-triazole

Manual Xrefs	Databases
2025099	ChemSpider