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Details

Stereochemistry ACHIRAL
Molecular Formula C15H15F3N2O2S
Molecular Weight 344.352
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYL 4-AMINO-3-(3-(TRIFLUOROMETHYL)PHENYL)-5-ISOTHIAZOLECARBOXYLATE

SMILES

CCCCOC(=O)C1=C(N)C(=NS1)C2=CC=CC(=C2)C(F)(F)F

InChI

InChIKey=RZQNJAZKCZDNHY-UHFFFAOYSA-N
InChI=1S/C15H15F3N2O2S/c1-2-3-7-22-14(21)13-11(19)12(20-23-13)9-5-4-6-10(8-9)15(16,17)18/h4-6,8H,2-3,7,19H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H15F3N2O2S
Molecular Weight 344.352
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 18:08:45 GMT 2023
Edited
by admin
on Sat Dec 16 18:08:45 GMT 2023
Record UNII
7R26PH876X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL 4-AMINO-3-(3-(TRIFLUOROMETHYL)PHENYL)-5-ISOTHIAZOLECARBOXYLATE
Systematic Name English
BUTYL 4-AMINO-3-(3-(TRIFLUOROMETHYL)PHENYL)ISOTHIAZOLE-5-CARBOXYLATE
Systematic Name English
5-ISOTHIAZOLECARBOXYLIC ACID, 4-AMINO-3-(3-(TRIFLUOROMETHYL)PHENYL)-, BUTYL ESTER
Systematic Name English
BUTYL 4-AMINO-3-(3-(TRIFLUOROMETHYL)PHENYL)-1,2-THIAZOLE-5-CARBOXYLATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10239900
Created by admin on Sat Dec 16 18:08:45 GMT 2023 , Edited by admin on Sat Dec 16 18:08:45 GMT 2023
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CAS
93923-94-5
Created by admin on Sat Dec 16 18:08:45 GMT 2023 , Edited by admin on Sat Dec 16 18:08:45 GMT 2023
PRIMARY
ECHA (EC/EINECS)
300-185-0
Created by admin on Sat Dec 16 18:08:45 GMT 2023 , Edited by admin on Sat Dec 16 18:08:45 GMT 2023
PRIMARY
FDA UNII
7R26PH876X
Created by admin on Sat Dec 16 18:08:45 GMT 2023 , Edited by admin on Sat Dec 16 18:08:45 GMT 2023
PRIMARY
PUBCHEM
3022945
Created by admin on Sat Dec 16 18:08:45 GMT 2023 , Edited by admin on Sat Dec 16 18:08:45 GMT 2023
PRIMARY