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Details

Stereochemistry ACHIRAL
Molecular Formula C11H11N3O3S.BrH
Molecular Weight 346.2
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone hydrobromide

SMILES

Br.[O-][N+](=O)C1=CC=C(C=C1)C(=O)CSC2=NCCN2

InChI

InChIKey=ZMIAEUWSYRKDAE-UHFFFAOYSA-N
InChI=1S/C11H11N3O3S.BrH/c15-10(7-18-11-12-5-6-13-11)8-1-3-9(4-2-8)14(16)17;/h1-4H,5-7H2,(H,12,13);1H

HIDE SMILES / InChI

Molecular Formula C11H11N3O3S
Molecular Weight 265.288
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BrH
Molecular Weight 80.912
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 16:57:45 GMT 2025
Edited
by admin
on Wed Apr 02 16:57:45 GMT 2025
Record UNII
5G29HXC57Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone hydrobromide
Systematic Name English
Acetophenone, 2-(2-imidazolin-2-ylthio)-4?-nitro-, hydrobromide
Preferred Name English
Ethanone, 2-[(4,5-dihydro-1H-imidazol-2-yl)thio]-1-(4-nitrophenyl)-, monohydrobromide
Systematic Name English
Ethanone, 2-[(4,5-dihydro-1H-imidazol-2-yl)thio]-1-(4-nitrophenyl)-, hydrobromide (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
5G29HXC57Y
Created by admin on Wed Apr 02 16:57:45 GMT 2025 , Edited by admin on Wed Apr 02 16:57:45 GMT 2025
PRIMARY
CAS
36066-17-8
Created by admin on Wed Apr 02 16:57:45 GMT 2025 , Edited by admin on Wed Apr 02 16:57:45 GMT 2025
PRIMARY
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