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CHEBI:93401 - 4-(trifluoromethylthio)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

ChEBI IDCHEBI:93401
ChEBI Name4-(trifluoromethylthio)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
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FormulaC24H15F3N2O3S2
Net Charge0
Average Mass500.523
Monoisotopic Mass500.04762
SMILESO=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C24H15F3N2O3S2/c25-24(26,27)34-18-12-10-17(11-13-18)22(30)31-14-3-4-15-33-23-29-28-21(32-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13H,14-15H2
InChIKeyJAVHEOIOLMWJCB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(trifluoromethylthio)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester (CHEBI:93401) is a naphthalenes (CHEBI:25477)
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