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CHEBI:92616 - 1-benzothiophene-3-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

Default Structure
ChEBI IDCHEBI:92616
ChEBI Name1-benzothiophene-3-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
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DownloadsMolfile
FormulaC25H16N2O3S2
Net Charge0
Average Mass456.548
Monoisotopic Mass456.06023
SMILESO=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)c1csc2ccccc12
InChIInChI=1S/C25H16N2O3S2/c28-24(21-16-32-22-13-4-3-11-19(21)22)29-14-5-6-15-31-25-27-26-23(30-25)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16H,14-15H2
InChIKeyJAIZDBKKNQHJBT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-benzothiophene-3-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester (CHEBI:92616) is a naphthalenes (CHEBI:25477)
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