3-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]-1-[[4-(phenylthio)phenyl]methyl]-1H-imidazolium nitrate

Details

Stereochemistry	RACEMIC
Molecular Formula	C24H21Cl2N2OS.NO3
Molecular Weight	518.412
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 nitrate

Structure Search

SMILES

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

InChI

InChIKey=GAXDLSMLSXXWRD-UHFFFAOYSA-N

InChI=1S/C24H21Cl2N2OS.NO3/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;2-1(3)4/h1-14,17,24,29H,15-16H2;/q+1;-1

HIDE SMILES / InChI

Molecular Formula	NO3
Molecular Weight	62.0049
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C24H21Cl2N2OS
Molecular Weight	456.407
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:58:13 GMT 2025` Edited by `admin` on `Wed Apr 02 16:58:13 GMT 2025`
Record UNII	H7W6LZ36RA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(RS)-1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[4-(phenylsulfanyl)benzyl]imidazolium nitrate

Preferred Name

English

3-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]-1-[[4-(phenylthio)phenyl]methyl]-1H-imidazolium nitrate

Systematic Name

English

1H-Imidazolium, 3-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-[[4-(phenylthio)phenyl]methyl]-, nitrate (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

H7W6LZ36RA

Created by admin on Wed Apr 02 16:58:13 GMT 2025 , Edited by admin on Wed Apr 02 16:58:13 GMT 2025

PRIMARY

PUBCHEM

131872044

Created by admin on Wed Apr 02 16:58:13 GMT 2025 , Edited by admin on Wed Apr 02 16:58:13 GMT 2025

PRIMARY

CAS

1313397-05-5

Created by admin on Wed Apr 02 16:58:13 GMT 2025 , Edited by admin on Wed Apr 02 16:58:13 GMT 2025

PRIMARY

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3-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]-1-[[4-(phenylthio)phenyl]methyl]-1H-imidazolium

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