EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:92011 - 4-fluorobenzoic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester

ChEBI IDCHEBI:92011
ChEBI Name4-fluorobenzoic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester
Stars
DownloadsMolfile
FormulaC19H13FN2O3S
Net Charge0
Average Mass368.389
Monoisotopic Mass368.06309
SMILESO=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccc(F)cc1
InChIInChI=1S/C19H13FN2O3S/c20-16-10-8-15(9-11-16)18(23)24-12-4-5-13-26-19-22-21-17(25-19)14-6-2-1-3-7-14/h1-3,6-11H,12-13H2
InChIKeyMMDUVFPGWUJNOE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-fluorobenzoic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester (CHEBI:92011) is a benzoate ester (CHEBI:36054)
Manual XrefsDatabases
LSM-1982LINCS