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Details

Stereochemistry ACHIRAL
Molecular Formula C11H5F3N4OS
Molecular Weight 298.244
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,2-trifluoro-1-{3-sulfanyl-5H-[1,2,4]triazino[5,6-b]indol-5-yl}ethan-1-one

SMILES

FC(F)(F)C(=O)N1C2=C(N=NC(=S)N2)C3=C1C=CC=C3

InChI

InChIKey=AGSZBVGKWLFZNG-UHFFFAOYSA-N
InChI=1S/C11H5F3N4OS/c12-11(13,14)9(19)18-6-4-2-1-3-5(6)7-8(18)15-10(20)17-16-7/h1-4H,(H,15,17,20)

HIDE SMILES / InChI

Molecular Formula C11H5F3N4OS
Molecular Weight 298.244
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 Tue Apr 01 19:47:20 GMT 2025
Edited
by admin
on Tue Apr 01 19:47:20 GMT 2025
Record UNII
R7W924WH4Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-623094
Preferred Name English
2,2,2-trifluoro-1-{3-sulfanyl-5H-[1,2,4]triazino[5,6-b]indol-5-yl}ethan-1-one
Systematic Name English
Ethanone, 1-(2,3-dihydro-3-thioxo-5H-1,2,4-triazino[5,6-b]indol-5-yl)-2,2,2-trifluoro-
Systematic Name English
3H-1,2,4-TRIAZINO(5,6-B)INDOLE-3-THIONE, 2,5-DIHYDRO-5-(TRIFLUOROACETYL)-
Systematic Name English
1-(2,3-Dihydro-3-thioxo-5H-1,2,4-triazino[5,6-b]indol-5-yl)-2,2,2-trifluoroethanone
Systematic Name English
Code System Code Type Description
FDA UNII
R7W924WH4Q
Created by admin on Tue Apr 01 19:47:20 GMT 2025 , Edited by admin on Tue Apr 01 19:47:20 GMT 2025
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PUBCHEM
3000333
Created by admin on Tue Apr 01 19:47:20 GMT 2025 , Edited by admin on Tue Apr 01 19:47:20 GMT 2025
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CAS
134793-48-9
Created by admin on Tue Apr 01 19:47:20 GMT 2025 , Edited by admin on Tue Apr 01 19:47:20 GMT 2025
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EPA CompTox
DTXSID80158952
Created by admin on Tue Apr 01 19:47:20 GMT 2025 , Edited by admin on Tue Apr 01 19:47:20 GMT 2025
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NSC
623094
Created by admin on Tue Apr 01 19:47:20 GMT 2025 , Edited by admin on Tue Apr 01 19:47:20 GMT 2025
PRIMARY