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

Details

Stereochemistry	RACEMIC
Molecular Formula	C37H31Cl2N2OS2.NO3
Molecular Weight	716.696
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-[2-(2,4-Dichlorophenyl)-2-[[4-(phenylthio)phenyl]methoxy]ethyl]-1-[[4-(phenylthio)phenyl]methyl]-1H-imidazolium nitrate

Structure Search

SMILES

[O-][N+]([O-])=O.ClC1=CC=C(C(C[N+]2=CN(CC3=CC=C(SC4=CC=CC=C4)C=C3)C=C2)OCC5=CC=C(SC6=CC=CC=C6)C=C5)C(Cl)=C1

InChI

InChIKey=MMAMVYJFSGNFBD-UHFFFAOYSA-N

InChI=1S/C37H31Cl2N2OS2.NO3/c38-30-15-20-35(36(39)23-30)37(42-26-29-13-18-34(19-14-29)44-32-9-5-2-6-10-32)25-41-22-21-40(27-41)24-28-11-16-33(17-12-28)43-31-7-3-1-4-8-31;2-1(3)4/h1-23,27,37H,24-26H2;/q+1;-1

HIDE SMILES / InChI

Molecular Formula	C37H31Cl2N2OS2
Molecular Weight	654.691
Charge	1
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:58:14 GMT 2025` Edited by `admin` on `Wed Apr 02 16:58:14 GMT 2025`
Record UNII	UAU3Q4JRZ4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

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

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

131872046

Created by admin on Wed Apr 02 16:58:14 GMT 2025 , Edited by admin on Wed Apr 02 16:58:14 GMT 2025

PRIMARY

FDA UNII

UAU3Q4JRZ4

Created by admin on Wed Apr 02 16:58:14 GMT 2025 , Edited by admin on Wed Apr 02 16:58:14 GMT 2025

PRIMARY

CAS

1313397-06-6

Created by admin on Wed Apr 02 16:58:14 GMT 2025 , Edited by admin on Wed Apr 02 16:58:14 GMT 2025

PRIMARY

Related Record Type Details


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

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