FJ-5002

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H22N3OS3.Cl
Molecular Weight	452.056
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].CCN1C(=O)C(SC1=CC2=[N+](CC)C(C)=CS2)=C3SC4=CC=CC=C4N3C

InChI

InChIKey=DMINXLZXFAXHJM-KPJFUTMLSA-M

InChI=1S/C20H22N3OS3.ClH/c1-5-22-13(3)12-25-16(22)11-17-23(6-2)19(24)18(27-17)20-21(4)14-9-7-8-10-15(14)26-20;/h7-12H,5-6H2,1-4H3;1H/q+1;/p-1/b20-18+;

HIDE SMILES / InChI

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

Molecular Formula	C20H22N3OS3
Molecular Weight	416.603
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:06:41 UTC 2023` Edited by `admin` on `Sat Dec 16 10:06:41 UTC 2023`
Record UNII	58F5VN8H37
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FJ-5002

Common Name

English

THIAZOLIUM, 3-ETHYL-2-((3-ETHYL-5-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-4-OXO-2-THIAZOLIDINYLIDENE)METHYL)-4-METHYL-, CHLORIDE (1:1)

Systematic Name

English

THIAZOLIUM, 3-ETHYL-2-((3-ETHYL-5-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-4-OXO-2-THIAZOLIDINYLIDENE)METHYL)-4-METHYL-, CHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

136203000

Created by admin on Sat Dec 16 10:06:41 UTC 2023 , Edited by admin on Sat Dec 16 10:06:41 UTC 2023

PRIMARY

CAS

247129-77-7

Created by admin on Sat Dec 16 10:06:41 UTC 2023 , Edited by admin on Sat Dec 16 10:06:41 UTC 2023

PRIMARY

FDA UNII

58F5VN8H37

Created by admin on Sat Dec 16 10:06:41 UTC 2023 , Edited by admin on Sat Dec 16 10:06:41 UTC 2023

PRIMARY

Related Record Type Details


					AC050XMB8T

FJ-5002 CATION

ACTIVE MOIETY