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CHEBI:93163 - 2-[5-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid

ChEBI IDCHEBI:93163
ChEBI Name2-[5-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid
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DownloadsMolfile
FormulaC22H19N3O4S3
Net Charge0
Average Mass485.612
Monoisotopic Mass485.05377
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc1
InChIInChI=1S/C22H19N3O4S3/c1-15-7-9-16(10-8-15)20-17(14-25(23-20)18-5-3-2-4-6-18)13-19-21(26)24(22(30)31-19)11-12-32(27,28)29/h2-10,13-14H,11-12H2,1H3,(H,27,28,29)
InChIKeyXEFPJRJQIDICJP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[5-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid (CHEBI:93163) is a pyrazoles (CHEBI:26410)
2-[5-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid (CHEBI:93163) is a ring assembly (CHEBI:36820)
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