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CHEBI:114728 - 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone

ChEBI IDCHEBI:114728
ChEBI Name3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
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DownloadsMolfile
FormulaC22H19N3O4S2
Net Charge0
Average Mass453.545
Monoisotopic Mass453.08170
SMILESCOc1cc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O
InChIInChI=1S/C22H19N3O4S2/c1-13-19(21(28)25(23(13)2)15-7-5-4-6-8-15)24-20(27)18(31-22(24)30)12-14-9-10-16(26)17(11-14)29-3/h4-12,26H,1-3H3
InChIKeySZESRDLHBLPEJF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone (CHEBI:114728) is a pyrazoles (CHEBI:26410)
3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone (CHEBI:114728) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-26190LINCS