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CHEBI:94264 - 2-[5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid

ChEBI IDCHEBI:94264
ChEBI Name2-[5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid
Stars
DownloadsMolfile
FormulaC28H22ClN3O5S3
Net Charge0
Average Mass612.154
Monoisotopic Mass611.04101
SMILESO=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1CCS(=O)(=O)O
InChIInChI=1S/C28H22ClN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)
InChIKeyWILPFKVTYXJQQV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid (CHEBI:94264) is a pyrazoles (CHEBI:26410)
2-[5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid (CHEBI:94264) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-4887LINCS