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CHEBI:9677 - Triazolidinonethione

ChEBI IDCHEBI:9677
ChEBI NameTriazolidinonethione
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H12BrN3OS
Net Charge0
Average Mass326.219
Monoisotopic Mass324.98845
SMILESO=c1n(-c2ccc(Br)cc2)c(=S)n2n1CCCC2
InChIInChI=1S/C12H12BrN3OS/c13-9-3-5-10(6-4-9)16-11(17)14-7-1-2-8-15(14)12(16)18/h3-6H,1-2,7-8H2
InChIKeyJJFWXELSEBZXEF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Triazolidinonethione (CHEBI:9677) is a triazolopyridazine (CHEBI:48384)
Synonyms  Source
TriazolidinonethioneKEGG COMPOUND
4-Bromophenyl-1,2-tetramethylene-1,2,4-triazolidin-3-one-5-thioneKEGG COMPOUND
Manual XrefsDatabases
C10975KEGG COMPOUND