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Details

Stereochemistry ACHIRAL
Molecular Formula C22H28N4O2S.ClH
Molecular Weight 449.009
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethylthionitazene hydrochloride

SMILES

Cl.CCSC1=CC=C(CC2=NC3=CC(=CC=C3N2CCN(CC)CC)[N+]([O-])=O)C=C1

InChI

InChIKey=KUABUXFOSUEIKQ-UHFFFAOYSA-N
InChI=1S/C22H28N4O2S.ClH/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3;/h7-12,16H,4-6,13-15H2,1-3H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1H-Benzimidazole-1-ethanamine, N,N-diethyl-2-[[4-(ethylthio)phenyl]methyl]-5-nitro-, hydrochloride
Preferred Name English
Ethylthionitazene hydrochloride
Common Name English
Benzimidazole, 1-(2-diethylaminoethyl)-2-[p-(ethylthio)benzyl]-5-nitro-, hydrochloride
Systematic Name English
Code System Code Type Description
CAS
115082-48-9
Created by admin on Wed Apr 02 13:50:09 GMT 2025 , Edited by admin on Wed Apr 02 13:50:09 GMT 2025
PRIMARY
FDA UNII
R2Y6NLC69W
Created by admin on Wed Apr 02 13:50:09 GMT 2025 , Edited by admin on Wed Apr 02 13:50:09 GMT 2025
PRIMARY
NIH
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