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CHEBI:112271 - 2-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid butyl ester

Default Structure
ChEBI IDCHEBI:112271
ChEBI Name2-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid butyl ester
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DownloadsMolfile
FormulaC21H23FN2O3S2
Net Charge0
Average Mass434.558
Monoisotopic Mass434.11341
SMILESCCCCOC(=O)CSCC(=O)N1N=C(c2cccs2)CC1c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O3S2/c1-2-3-10-27-21(26)14-28-13-20(25)24-18(15-6-8-16(22)9-7-15)12-17(23-24)19-5-4-11-29-19/h4-9,11,18H,2-3,10,12-14H2,1H3
InChIKeyOVVJEAXJBXVSEO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid butyl ester (CHEBI:112271) is a organofluorine compound (CHEBI:37143)
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