U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H19N5O2S
Molecular Weight 405.473
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[5-[(2-Methylphenyl)methyl]-2-thiazolyl]-4-oxo-1,2,3-benzotriazine-3(4H)-propanamide

SMILES

CC1=CC=CC=C1CC2=CN=C(NC(=O)CCN3N=NC4=CC=CC=C4C3=O)S2

InChI

InChIKey=NHPOGCOZGXTNFE-UHFFFAOYSA-N
InChI=1S/C21H19N5O2S/c1-14-6-2-3-7-15(14)12-16-13-22-21(29-16)23-19(27)10-11-26-20(28)17-8-4-5-9-18(17)24-25-26/h2-9,13H,10-12H2,1H3,(H,22,23,27)

HIDE SMILES / InChI

Molecular Formula C21H19N5O2S
Molecular Weight 405.473
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 Wed Apr 02 17:33:55 GMT 2025
Edited
by admin
on Wed Apr 02 17:33:55 GMT 2025
Record UNII
R8F88SC626
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bifendate Impurity A
Preferred Name English
N-[5-[(2-Methylphenyl)methyl]-2-thiazolyl]-4-oxo-1,2,3-benzotriazine-3(4H)-propanamide
Systematic Name English
1,2,3-Benzotriazine-3(4H)-propanamide, N-[5-[(2-methylphenyl)methyl]-2-thiazolyl]-4-oxo
Systematic Name English
Code System Code Type Description
FDA UNII
R8F88SC626
Created by admin on Wed Apr 02 17:33:55 GMT 2025 , Edited by admin on Wed Apr 02 17:33:55 GMT 2025
PRIMARY
PUBCHEM
45895258
Created by admin on Wed Apr 02 17:33:55 GMT 2025 , Edited by admin on Wed Apr 02 17:33:55 GMT 2025
PRIMARY
CAS
1181519-47-0
Created by admin on Wed Apr 02 17:33:55 GMT 2025 , Edited by admin on Wed Apr 02 17:33:55 GMT 2025
PRIMARY