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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9F5N4O5S
Molecular Weight 416.281
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(((2-(2,2-DIFLUOROETHOXY)-6-(TRIFLUOROMETHYL)PHENYL)SULFONYL)AMINO)-1H-1,2,4-TRIAZOLE-5-CARBOXYLIC ACID

SMILES

OC(=O)C1=NC(NS(=O)(=O)C2=C(C=CC=C2OCC(F)F)C(F)(F)F)=NN1

InChI

InChIKey=ODZRTWOFZUTVKZ-UHFFFAOYSA-N
InChI=1S/C12H9F5N4O5S/c13-7(14)4-26-6-3-1-2-5(12(15,16)17)8(6)27(24,25)21-11-18-9(10(22)23)19-20-11/h1-3,7H,4H2,(H,22,23)(H2,18,19,20,21)

HIDE SMILES / InChI

Molecular Formula C12H9F5N4O5S
Molecular Weight 416.281
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 08:41:31 GMT 2023
Edited
by admin
on Sat Dec 16 08:41:31 GMT 2023
Record UNII
F0686O5495
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(((2-(2,2-DIFLUOROETHOXY)-6-(TRIFLUOROMETHYL)PHENYL)SULFONYL)AMINO)-1H-1,2,4-TRIAZOLE-5-CARBOXYLIC ACID
Systematic Name English
1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID, 5-(((2-(2,2-DIFLUOROETHOXY)-6-(TRIFLUOROMETHYL)PHENYL)SULFONYL)AMINO)-
Systematic Name English
Code System Code Type Description
CAS
907215-84-3
Created by admin on Sat Dec 16 08:41:32 GMT 2023 , Edited by admin on Sat Dec 16 08:41:32 GMT 2023
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EPA CompTox
DTXSID00904852
Created by admin on Sat Dec 16 08:41:32 GMT 2023 , Edited by admin on Sat Dec 16 08:41:32 GMT 2023
PRIMARY
PUBCHEM
76959556
Created by admin on Sat Dec 16 08:41:32 GMT 2023 , Edited by admin on Sat Dec 16 08:41:32 GMT 2023
PRIMARY
FDA UNII
F0686O5495
Created by admin on Sat Dec 16 08:41:32 GMT 2023 , Edited by admin on Sat Dec 16 08:41:32 GMT 2023
PRIMARY