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Details

Stereochemistry ACHIRAL
Molecular Formula C21H26N4O2S.ClH
Molecular Weight 434.983
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methylthionitazene hydrochloride

SMILES

Cl.CCN(CC)CCN1C(CC2=CC=C(SC)C=C2)=NC3=CC(=CC=C13)[N+]([O-])=O

InChI

InChIKey=UFPDSVKRSDQNPU-UHFFFAOYSA-N
InChI=1S/C21H26N4O2S.ClH/c1-4-23(5-2)12-13-24-20-11-8-17(25(26)27)15-19(20)22-21(24)14-16-6-9-18(28-3)10-7-16;/h6-11,15H,4-5,12-14H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H26N4O2S
Molecular Weight 398.522
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 13:44:05 GMT 2025
Edited
by admin
on Wed Apr 02 13:44:05 GMT 2025
Record UNII
RQ9DXC7YGX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Benzimidazole-1-ethanamine, N,N-diethyl-2-[[4-(methylthio)phenyl]methyl]-5-nitro-, hydrochloride
Preferred Name English
Methylthionitazene hydrochloride
Common Name English
Benzimidazole, 1-(2-diethylaminoethyl)-2-[p-(methylthio)benzyl]-5-nitro-, hydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
RQ9DXC7YGX
Created by admin on Wed Apr 02 13:44:05 GMT 2025 , Edited by admin on Wed Apr 02 13:44:05 GMT 2025
PRIMARY
CAS
112071-60-0
Created by admin on Wed Apr 02 13:44:05 GMT 2025 , Edited by admin on Wed Apr 02 13:44:05 GMT 2025
PRIMARY
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