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CHEBI:92142 - 2-[4-oxo-5-[[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid

ChEBI IDCHEBI:92142
ChEBI Name2-[4-oxo-5-[[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid
Stars
DownloadsMolfile
FormulaC28H23N3O5S3
Net Charge0
Average Mass577.709
Monoisotopic Mass577.07998
SMILESO=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC(=S)N1CCS(=O)(=O)O
InChIInChI=1S/C28H23N3O5S3/c32-27-25(38-28(37)30(27)15-16-39(33,34)35)17-22-18-31(23-9-5-2-6-10-23)29-26(22)21-11-13-24(14-12-21)36-19-20-7-3-1-4-8-20/h1-14,17-18H,15-16,19H2,(H,33,34,35)
InChIKeyBKKZXYQHBNATKO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[4-oxo-5-[[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid (CHEBI:92142) is a pyrazoles (CHEBI:26410)
2-[4-oxo-5-[[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid (CHEBI:92142) is a ring assembly (CHEBI:36820)
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