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A1EAY

Summary
Name:Sulfinpyrazone
Synonyms:1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]pyrazolidine-3,5-dione
Formula:C23 H20 N2 O3 S
Formal charge:0
Formula weight:404.482 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]pyrazolidine-3,5-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKeyInChI1.06MBGGBVCUIVRRBF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1C(CC[S@@](=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4
SMILESCACTVS3.385O=C1C(CC[S](=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)N2C(=O)C(C(=O)N2c3ccccc3)CCS(=O)c4ccccc4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)N2C(=O)C(C(=O)N2c3ccccc3)CCS(=O)c4ccccc4

247947

PDB entries from 2026-01-21

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