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Details

Stereochemistry RACEMIC
Molecular Formula C24H21Cl2N2OS.Cl
Molecular Weight 491.86
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]-1-[[4-(phenylthio)phenyl]methyl]-1H-imidazolium chloride

SMILES

[Cl-].OC(C[N+]1=CN(CC2=CC=C(SC3=CC=CC=C3)C=C2)C=C1)C4=CC=C(Cl)C=C4Cl

InChI

InChIKey=FTZOVEVNJDGPHC-UHFFFAOYSA-M
InChI=1S/C24H21Cl2N2OS.ClH/c25-19-8-11-22(23(26)14-19)24(29)16-28-13-12-27(17-28)15-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20;/h1-14,17,24,29H,15-16H2;1H/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
1H-Imidazolium, 3-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-[[4-(phenylthio)phenyl]methyl]-, chloride (1:1)
Preferred Name English
3-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]-1-[[4-(phenylthio)phenyl]methyl]-1H-imidazolium chloride
Systematic Name English
Code System Code Type Description
FDA UNII
5V64VE6RT9
Created by admin on Wed Apr 02 18:08:07 GMT 2025 , Edited by admin on Wed Apr 02 18:08:07 GMT 2025
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CAS
80639-93-6
Created by admin on Wed Apr 02 18:08:07 GMT 2025 , Edited by admin on Wed Apr 02 18:08:07 GMT 2025
PRIMARY
PUBCHEM
169438953
Created by admin on Wed Apr 02 18:08:07 GMT 2025 , Edited by admin on Wed Apr 02 18:08:07 GMT 2025
PRIMARY