EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:116573 - 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanone

ChEBI IDCHEBI:116573
ChEBI Name1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanone
Stars
DownloadsMolfile
FormulaC19H21ClN6O3S2
Net Charge0
Average Mass481.003
Monoisotopic Mass480.08051
SMILESCc1cc(C)n2c(SCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nnc2n1
InChIInChI=1S/C19H21ClN6O3S2/c1-13-11-14(2)26-18(21-13)22-23-19(26)30-12-17(27)24-7-9-25(10-8-24)31(28,29)16-5-3-15(20)4-6-16/h3-6,11H,7-10,12H2,1-2H3
InChIKeyPDDXDBGCCXRJGU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanone (CHEBI:116573) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-28028LINCS