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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H18F3N3O2S
Molecular Weight 385.404
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RU-59063

SMILES

CC1(C)N(CCCCO)C(=S)N(C1=O)C2=CC=C(C#N)C(=C2)C(F)(F)F

InChI

InChIKey=FIDNKDVRTLFETI-UHFFFAOYSA-N
InChI=1S/C17H18F3N3O2S/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H18F3N3O2S
Molecular Weight 385.404
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 Wed Apr 02 05:42:02 GMT 2025
Edited
by admin
on Wed Apr 02 05:42:02 GMT 2025
Record UNII
3LRS7FXN3G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RU59063
Preferred Name English
RU-59063
Code English
4-[3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-trifluoromethylbenzonitrile
Systematic Name English
Benzonitrile, 4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl]-2-(trifluoromethyl)-
Systematic Name English
4-[3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile
Systematic Name English
4-(4,4-DIMETHYL-3-(4-OXIDANYLBUTYL)-5-OXIDANYLIDENE-2-SULFANYLIDENE-IMIDAZOLIDIN-1-YL)-2-(TRIFLUOROMETHYL)BENZENECARBONITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
197655
Created by admin on Wed Apr 02 05:42:02 GMT 2025 , Edited by admin on Wed Apr 02 05:42:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID50165850
Created by admin on Wed Apr 02 05:42:02 GMT 2025 , Edited by admin on Wed Apr 02 05:42:02 GMT 2025
PRIMARY
WIKIPEDIA
RU-59063
Created by admin on Wed Apr 02 05:42:02 GMT 2025 , Edited by admin on Wed Apr 02 05:42:02 GMT 2025
PRIMARY
CAS
155180-53-3
Created by admin on Wed Apr 02 05:42:02 GMT 2025 , Edited by admin on Wed Apr 02 05:42:02 GMT 2025
PRIMARY
FDA UNII
3LRS7FXN3G
Created by admin on Wed Apr 02 05:42:02 GMT 2025 , Edited by admin on Wed Apr 02 05:42:02 GMT 2025
PRIMARY