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

ChEBI IDCHEBI:93289
ChEBI Name4-bromobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
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DownloadsMolfile
FormulaC23H15BrN2O3S
Net Charge0
Average Mass479.355
Monoisotopic Mass477.99868
SMILESO=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(Br)cc1
InChIInChI=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
InChIKeyXTSDILRLMBNWMK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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)
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