U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H19FN2O3S
Molecular Weight 398.451
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-818571

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(CC3CC3)N=C2)C4=CC=C(F)C=C4

InChI

InChIKey=NRXNITPRTPIEKU-UHFFFAOYSA-N
InChI=1S/C21H19FN2O3S/c1-28(26,27)18-10-6-15(7-11-18)19-12-23-24(13-14-2-3-14)21(25)20(19)16-4-8-17(22)9-5-16/h4-12,14H,2-3,13H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H19FN2O3S
Molecular Weight 398.451
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 09:08:19 GMT 2023
Edited
by admin
on Sat Dec 16 09:08:19 GMT 2023
Record UNII
3Q4QR6LA4J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-818571
Code English
2-(CYCLOPROPYLMETHYL)-4-(4-FLUOROPHENYL)-5-(4-(METHYLSULFONYL)PHENYL)-3(2H)-PYRIDAZINONE
Systematic Name English
3(2H)-PYRIDAZINONE, 2-(CYCLOPROPYLMETHYL)-4-(4-FLUOROPHENYL)-5-(4-(METHYLSULFONYL)PHENYL)-
Systematic Name English
Code System Code Type Description
CAS
213763-92-9
Created by admin on Sat Dec 16 09:08:19 GMT 2023 , Edited by admin on Sat Dec 16 09:08:19 GMT 2023
PRIMARY
FDA UNII
3Q4QR6LA4J
Created by admin on Sat Dec 16 09:08:19 GMT 2023 , Edited by admin on Sat Dec 16 09:08:19 GMT 2023
PRIMARY
PUBCHEM
9930747
Created by admin on Sat Dec 16 09:08:19 GMT 2023 , Edited by admin on Sat Dec 16 09:08:19 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY