N-(4-Phenylthiobenzyl)fenticonazole chloride

Details

Stereochemistry	RACEMIC
Molecular Formula	C37H31Cl2N2OS2.Cl
Molecular Weight	690.144
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(4-Phenylthiobenzyl)fenticonazole chloride

Structure Search

SMILES

[Cl-].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=VVMWYEIOPNGQEO-UHFFFAOYSA-M

InChI=1S/C37H31Cl2N2OS2.ClH/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;/h1-23,27,37H,24-26H2;1H/q+1;/p-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	Cl
Molecular Weight	35.453
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 18:41:13 GMT 2025` Edited by `admin` on `Wed Apr 02 18:41:13 GMT 2025`
Record UNII	C5E9XQF29H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-[2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]-3-[(4-phenylsulfanylphenyl)methyl]imidazol-3-ium chloride

Preferred Name

English

N-(4-Phenylthiobenzyl)fenticonazole chloride

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

80639-92-5

Created by admin on Wed Apr 02 18:41:13 GMT 2025 , Edited by admin on Wed Apr 02 18:41:13 GMT 2025

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PUBCHEM

71751642

Created by admin on Wed Apr 02 18:41:13 GMT 2025 , Edited by admin on Wed Apr 02 18:41:13 GMT 2025

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EPA CompTox

DTXSID80858309

Created by admin on Wed Apr 02 18:41:13 GMT 2025 , Edited by admin on Wed Apr 02 18:41:13 GMT 2025

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FDA UNII

C5E9XQF29H

Created by admin on Wed Apr 02 18:41:13 GMT 2025 , Edited by admin on Wed Apr 02 18:41:13 GMT 2025

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Related Record Type Details


					DZY7J5Y7U4

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

PARENT -> SALT/SOLVATE

Amount: