3-[[2-(Acetyloxy)ethyl][4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]propanenitrile

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H21N5O4S2
Molecular Weight	471.553
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-[[2-(Acetyloxy)ethyl][4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]propanenitrile

Structure Search

SMILES

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)\N=N\C2=NC3=C(S2)C=C(C=C3)S(C)(=O)=O

InChI

InChIKey=QFMUFGXGLWRZKO-OCOZRVBESA-N

InChI=1S/C21H21N5O4S2/c1-15(27)30-13-12-26(11-3-10-22)17-6-4-16(5-7-17)24-25-21-23-19-9-8-18(32(2,28)29)14-20(19)31-21/h4-9,14H,3,11-13H2,1-2H3/b25-24+

HIDE SMILES / InChI

Molecular Formula	C21H21N5O4S2
Molecular Weight	471.553
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:22:58 GMT 2025` Edited by `admin` on `Tue Apr 01 19:22:58 GMT 2025`
Record UNII	56LX4EPT4X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-[[2-(Acetyloxy)ethyl][4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]propanenitrile

Systematic Name

English

Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]-

Preferred Name

English

Propionitrile, 3-[N-(2-hydroxyethyl)-p-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]anilino]-, acetate

Systematic Name

English

Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

264-222-1

Created by admin on Tue Apr 01 19:22:58 GMT 2025 , Edited by admin on Tue Apr 01 19:22:58 GMT 2025

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FDA UNII

56LX4EPT4X

Created by admin on Tue Apr 01 19:22:58 GMT 2025 , Edited by admin on Tue Apr 01 19:22:58 GMT 2025

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CAS

63467-09-4

Created by admin on Tue Apr 01 19:22:58 GMT 2025 , Edited by admin on Tue Apr 01 19:22:58 GMT 2025

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EPA CompTox

DTXSID2069868

Created by admin on Tue Apr 01 19:22:58 GMT 2025 , Edited by admin on Tue Apr 01 19:22:58 GMT 2025

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