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Details

Stereochemistry ACHIRAL
Molecular Formula C22H17F4N3O3S
Molecular Weight 479.447
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluorobenzoate

SMILES

CCOC(=O)C1=CC=C(C=C1F)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChIKey=BBTWQNZZAFEYBF-UHFFFAOYSA-N
InChI=1S/C22H17F4N3O3S/c1-4-32-18(30)15-8-7-14(10-17(15)23)29-20(33)28(19(31)21(29,2)3)13-6-5-12(11-27)16(9-13)22(24,25)26/h5-10H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C22H17F4N3O3S
Molecular Weight 479.447
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 19:35:52 GMT 2023
Edited
by admin
on Sat Dec 16 19:35:52 GMT 2023
Record UNII
GH4PE73PJM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluorobenzoate
Systematic Name English
Benzoic acid, 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-, ethyl ester
Systematic Name English
Ethyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoate
Systematic Name English
Code System Code Type Description
CAS
1802242-44-9
Created by admin on Sat Dec 16 19:35:52 GMT 2023 , Edited by admin on Sat Dec 16 19:35:52 GMT 2023
PRIMARY
PUBCHEM
129131554
Created by admin on Sat Dec 16 19:35:52 GMT 2023 , Edited by admin on Sat Dec 16 19:35:52 GMT 2023
PRIMARY
FDA UNII
GH4PE73PJM
Created by admin on Sat Dec 16 19:35:52 GMT 2023 , Edited by admin on Sat Dec 16 19:35:52 GMT 2023
PRIMARY