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CHEBI:92821 - 3-chloro-2-thiophenecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

Default Structure
ChEBI IDCHEBI:92821
ChEBI Name3-chloro-2-thiophenecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
Stars
DownloadsMolfile
FormulaC21H13ClN2O3S2
Net Charge0
Average Mass440.933
Monoisotopic Mass440.00561
SMILESO=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1sccc1Cl
InChIInChI=1S/C21H13ClN2O3S2/c22-17-10-13-28-18(17)20(25)26-11-3-4-12-29-21-24-23-19(27-21)16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-10,13H,11-12H2
InChIKeyJMUKWVCHLKIZFA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-chloro-2-thiophenecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester (CHEBI:92821) is a naphthalenes (CHEBI:25477)
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