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Details

Stereochemistry ACHIRAL
Molecular Formula C21H21N3O2S
Molecular Weight 379.475
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

O=C1N(N=CC(N2CCOCC2)=C1SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=BMRMCKZUNQUYKG-UHFFFAOYSA-N
InChI=1S/C21H21N3O2S/c25-21-20(27-16-17-7-3-1-4-8-17)19(23-11-13-26-14-12-23)15-22-24(21)18-9-5-2-6-10-18/h1-10,15H,11-14,16H2

HIDE SMILES / InChI

Molecular Formula C21H21N3O2S
Molecular Weight 379.475
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 Sat Dec 16 12:56:17 GMT 2023
Edited
by admin
on Sat Dec 16 12:56:17 GMT 2023
Record UNII
SUN4R950K2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(BENZYLTHIO)-5-(4-MORPHOLINYL)-2-PHENYL-3(2H)-PYRIDAZINONE
Systematic Name English
3(2H)-PYRIDAZINONE, 5-(4-MORPHOLINYL)-2-PHENYL-4-((PHENYLMETHYL)THIO)-
Systematic Name English
3(2H)-PYRIDAZINONE, 4-(BENZYLTHIO)-5-MORPHOLINO-2-PHENYL-
Systematic Name English
5-(4-MORPHOLINYL)-2-PHENYL-4-((PHENYLMETHYL)THIO)-3(2H)-PYRIDAZINONE
Systematic Name English
NSC-66124
Code English
Code System Code Type Description
EPA CompTox
DTXSID40200704
Created by admin on Sat Dec 16 12:56:17 GMT 2023 , Edited by admin on Sat Dec 16 12:56:17 GMT 2023
PRIMARY
CAS
5273-14-3
Created by admin on Sat Dec 16 12:56:17 GMT 2023 , Edited by admin on Sat Dec 16 12:56:17 GMT 2023
PRIMARY
NSC
66124
Created by admin on Sat Dec 16 12:56:17 GMT 2023 , Edited by admin on Sat Dec 16 12:56:17 GMT 2023
PRIMARY
PUBCHEM
248721
Created by admin on Sat Dec 16 12:56:17 GMT 2023 , Edited by admin on Sat Dec 16 12:56:17 GMT 2023
PRIMARY
FDA UNII
SUN4R950K2
Created by admin on Sat Dec 16 12:56:17 GMT 2023 , Edited by admin on Sat Dec 16 12:56:17 GMT 2023
PRIMARY