EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:9528 - 3-(4-bromophenylimino)tetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazine-3-thione

ChEBI IDCHEBI:9528
ChEBI Name3-(4-bromophenylimino)tetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazine-3-thione
Stars
ASCII Name3-(4-bromophenylimino)tetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazine-3-thione
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H12BrN3S2
Net Charge0
Average Mass342.287
Monoisotopic Mass340.96560
SMILESS=c1s/c(=N\c2ccc(Br)cc2)n2n1CCCC2
InChIInChI=1S/C12H12BrN3S2/c13-9-3-5-10(6-4-9)14-11-15-7-1-2-8-16(15)12(17)18-11/h3-6H,1-2,7-8H2/b14-11-
InChIKeyICRCGJXKHDVZBV-KAMYIIQDSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(4-bromophenylimino)tetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazine-3-thione (CHEBI:9528) is a organobromine compound (CHEBI:37141)
3-(4-bromophenylimino)tetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazine-3-thione (CHEBI:9528) is a thiadiazolopyridazine (CHEBI:48874)
Synonym  Source
5-(4-Bromophenylimino)-3,4-tetramethylene-1,3,4-thiadiazolidine-2-thioneKEGG COMPOUND
Manual XrefsDatabases
C10977KEGG COMPOUND