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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H11F3N2O4S
Molecular Weight 420.362
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-[4-[(Z)-(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenoxy]-3-(trifluoromethyl)benzonitrile

SMILES

COC1=C(OC2=C(C=C(C=C2)C#N)C(F)(F)F)C=CC(\C=C3/SC(=O)NC3=O)=C1

InChI

InChIKey=OBBIOCQFTMNSJI-PXNMLYILSA-N
InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)/b16-8-

HIDE SMILES / InChI

Molecular Formula C19H11F3N2O4S
Molecular Weight 420.362
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:44:53 GMT 2025
Edited
by admin
on Wed Apr 02 05:44:53 GMT 2025
Record UNII
S23WCL2V8V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(Z)-4-[4-[(2,4-Dioxothiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-3-(trifluoromethyl)benzonitrile
Preferred Name English
4-[4-[(Z)-(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenoxy]-3-(trifluoromethyl)benzonitrile
Systematic Name English
Benzonitrile, 4-[4-[(Z)-(2,4-dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenoxy]-3-(trifluoromethyl)-
Systematic Name English
Benzonitrile, 4-[4-[(2,4-dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenoxy]-3-(trifluoromethyl)-
Systematic Name English
4-[4-[(2,4-Dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenoxy]-3-(trifluoromethyl)benzonitrile
Systematic Name English
4-(4-((2,4-Bis(oxidanylidene)-1,3-thiazolidin-5-ylidene)methyl)-2-methoxy-phenoxy)-3-(trifluoromethyl)benzenecarbonitrile
Systematic Name English
Code System Code Type Description
PUBCHEM
46916268
Created by admin on Wed Apr 02 05:44:53 GMT 2025 , Edited by admin on Wed Apr 02 05:44:53 GMT 2025
PRIMARY
CAS
1055361-35-7
Created by admin on Wed Apr 02 05:44:53 GMT 2025 , Edited by admin on Wed Apr 02 05:44:53 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
S23WCL2V8V
Created by admin on Wed Apr 02 05:44:53 GMT 2025 , Edited by admin on Wed Apr 02 05:44:53 GMT 2025
PRIMARY
CAS
1264754-13-3
Created by admin on Wed Apr 02 05:44:53 GMT 2025 , Edited by admin on Wed Apr 02 05:44:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID501352017
Created by admin on Wed Apr 02 05:44:53 GMT 2025 , Edited by admin on Wed Apr 02 05:44:53 GMT 2025
PRIMARY