CHEBI:92380 - 2-[5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid
ChEBI ID CHEBI:92380
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H22ClN3O5S3
Net Charge 0
Average Mass 612.144
Monoisotopic Mass 611.04101
InChI InChI=1S/C28H22ClN3O5S3/c29-22-10-6-19(7-11-22)18-37-24-12-8-20(9-13-24)26-21(17-32(30-26)23-4-2-1-3-5-23)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)
InChIKey UEMVHDDFBLKUGI-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C=C5C(=O)N(C(=S)S5)CCS(=O)(=O)O
ChEBI Ontology
Outgoing 2-[5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid (CHEBI:92380) is a pyrazoles (CHEBI:26410)
2-[5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid (CHEBI:92380) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-2467 LINCS
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