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Details

Stereochemistry ACHIRAL
Molecular Formula C21H20ClN3O2S
Molecular Weight 413.92
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((4-CHLOROBENZYL)THIO)-5-(4-MORPHOLINYL)-2-PHENYL-3(2H)-PYRIDAZINONE

SMILES

ClC1=CC=C(CSC2=C(C=NN(C2=O)C3=CC=CC=C3)N4CCOCC4)C=C1

InChI

InChIKey=QOROKUXWXWMEJW-UHFFFAOYSA-N
InChI=1S/C21H20ClN3O2S/c22-17-8-6-16(7-9-17)15-28-20-19(24-10-12-27-13-11-24)14-23-25(21(20)26)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2

HIDE SMILES / InChI

Molecular Formula C21H20ClN3O2S
Molecular Weight 413.92
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:34:06 GMT 2025
Edited
by admin
on Tue Apr 01 19:34:06 GMT 2025
Record UNII
JK24TIG538
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((4-CHLOROBENZYL)THIO)-5-(4-MORPHOLINYL)-2-PHENYL-3(2H)-PYRIDAZINONE
Systematic Name English
NSC-66123
Preferred Name English
3(2H)-PYRIDAZINONE, 4-((P-CHLOROBENZYL)THIO)-5-MORPHOLINO-2-PHENYL-
Systematic Name English
3(2H)-PYRIDAZINONE, 4-(((4-CHLOROPHENYL)METHYL)THIO)-5-(4-MORPHOLINYL)-2-PHENYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
248720
Created by admin on Tue Apr 01 19:34:06 GMT 2025 , Edited by admin on Tue Apr 01 19:34:06 GMT 2025
PRIMARY
CAS
5589-89-9
Created by admin on Tue Apr 01 19:34:06 GMT 2025 , Edited by admin on Tue Apr 01 19:34:06 GMT 2025
PRIMARY
NSC
66123
Created by admin on Tue Apr 01 19:34:06 GMT 2025 , Edited by admin on Tue Apr 01 19:34:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID60204481
Created by admin on Tue Apr 01 19:34:06 GMT 2025 , Edited by admin on Tue Apr 01 19:34:06 GMT 2025
PRIMARY
FDA UNII
JK24TIG538
Created by admin on Tue Apr 01 19:34:06 GMT 2025 , Edited by admin on Tue Apr 01 19:34:06 GMT 2025
PRIMARY