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CHEBI:93659 - 4-(dimethylamino)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

ChEBI IDCHEBI:93659
ChEBI Name4-(dimethylamino)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
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DownloadsMolfile
FormulaC25H21N3O3S
Net Charge0
Average Mass443.528
Monoisotopic Mass443.13036
SMILESCN(C)c1ccc(C(=O)OCC#CCSc2nnc(-c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C25H21N3O3S/c1-28(2)20-14-12-19(13-15-20)24(29)30-16-5-6-17-32-25-27-26-23(31-25)22-11-7-9-18-8-3-4-10-21(18)22/h3-4,7-15H,16-17H2,1-2H3
InChIKeyYOHJBMUZJDYHAD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(dimethylamino)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester (CHEBI:93659) is a naphthalenes (CHEBI:25477)
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LSM-4133LINCS