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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11N3O3S
Molecular Weight 289.31
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-METHYLPHENYL)-2H-PYRIDO(4,3-E)-1,2,4-THIADIAZIN-3(4H)-ONE 1,1-DIOXIDE

SMILES

CC1=CC(=CC=C1)N2C(=O)NS(=O)(=O)C3=C2C=CN=C3

InChI

InChIKey=QMCVPDNHQUBJPG-UHFFFAOYSA-N
InChI=1S/C13H11N3O3S/c1-9-3-2-4-10(7-9)16-11-5-6-14-8-12(11)20(18,19)15-13(16)17/h2-8H,1H3,(H,15,17)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-(3-METHYLPHENYL)-2H-PYRIDO(4,3-E)-1,2,4-THIADIAZIN-3(4H)-ONE 1,1-DIOXIDE
Systematic Name English
TORASEMIDE IMPURITY A [EP IMPURITY]
Common Name English
2H-PYRIDO(4,3-E)-1,2,4-THIADIAZIN-3(4H)-ONE, 4-(3-METHYLPHENYL)-, 1,1-DIOXIDE
Systematic Name English
Code System Code Type Description
FDA UNII
S2V55A7A7X
Created by admin on Sat Dec 16 08:33:03 GMT 2023 , Edited by admin on Sat Dec 16 08:33:03 GMT 2023
PRIMARY
PUBCHEM
29984242
Created by admin on Sat Dec 16 08:33:03 GMT 2023 , Edited by admin on Sat Dec 16 08:33:03 GMT 2023
PRIMARY
CAS
72810-61-8
Created by admin on Sat Dec 16 08:33:03 GMT 2023 , Edited by admin on Sat Dec 16 08:33:03 GMT 2023
PRIMARY
RS_ITEM_NUM
1672359
Created by admin on Sat Dec 16 08:33:03 GMT 2023 , Edited by admin on Sat Dec 16 08:33:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID80223134
Created by admin on Sat Dec 16 08:33:03 GMT 2023 , Edited by admin on Sat Dec 16 08:33:03 GMT 2023
PRIMARY
NIH
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