EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:92021 - 4-chlorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

ChEBI IDCHEBI:92021
ChEBI Name4-chlorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
Stars
DownloadsMolfile
FormulaC23H15ClN2O3S
Net Charge0
Average Mass434.904
Monoisotopic Mass434.04919
SMILESO=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(Cl)cc1
InChIInChI=1S/C23H15ClN2O3S/c24-18-12-10-17(11-13-18)22(27)28-14-3-4-15-30-23-26-25-21(29-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13H,14-15H2
InChIKeyARXGQLDPZZWOCY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-chlorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester (CHEBI:92021) is a naphthalenes (CHEBI:25477)
Manual XrefsDatabases
LSM-1994LINCS