CHEBI:93289 - 4-bromobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-bromobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
ChEBI ID CHEBI:93289
Stars This entity has been manually annotated by a third party.
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Formula C23H15BrN2O3S
Net Charge 0
Average Mass 479.347
Monoisotopic Mass 477.99868
InChI InChI=1S/C23H15BrN2O3S/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
InChIKey XTSDILRLMBNWMK-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=CC=C(C=C4)Br
ChEBI Ontology
Outgoing 4-bromobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester (CHEBI:93289) is a naphthalenes (CHEBI:25477)
Manual Xref Database
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