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Details

Stereochemistry ACHIRAL
Molecular Formula C19H19N5O3S2
Molecular Weight 429.516
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-[(2-Hydroxyethyl)[4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]propanenitrile

SMILES

CS(=O)(=O)C1=CC=C2N=C(SC2=C1)N=NC3=CC=C(C=C3)N(CCO)CCC#N

InChI

InChIKey=ZDFGMUPYJLPKGD-GHVJWSGMSA-N
InChI=1S/C19H19N5O3S2/c1-29(26,27)16-7-8-17-18(13-16)28-19(21-17)23-22-14-3-5-15(6-4-14)24(11-12-25)10-2-9-20/h3-8,13,25H,2,10-12H2,1H3/b23-22+

HIDE SMILES / InChI

Molecular Formula C19H19N5O3S2
Molecular Weight 429.516
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 Sat Dec 16 18:34:09 GMT 2023
Edited
by admin
on Sat Dec 16 18:34:09 GMT 2023
Record UNII
5T6YY5UA2B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[(2-Hydroxyethyl)[4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]propanenitrile
Systematic Name English
Propionitrile, 3-[N-(2-hydroxyethyl)-p-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]anilino]-
Systematic Name English
PROPANENITRILE, 3-((2-HYDROXYETHYL)(4-((6-(METHYLSULFONYL)-2-BENZOTHIAZOLYL)AZO)PHENYL)AMINO)-
Systematic Name English
3-[N-(2-hydroxyethyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]propanenitrile
Systematic Name English
Code System Code Type Description
FDA UNII
5T6YY5UA2B
Created by admin on Sat Dec 16 18:34:09 GMT 2023 , Edited by admin on Sat Dec 16 18:34:09 GMT 2023
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CAS
24170-48-7
Created by admin on Sat Dec 16 18:34:09 GMT 2023 , Edited by admin on Sat Dec 16 18:34:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID4066963
Created by admin on Sat Dec 16 18:34:09 GMT 2023 , Edited by admin on Sat Dec 16 18:34:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
246-057-7
Created by admin on Sat Dec 16 18:34:09 GMT 2023 , Edited by admin on Sat Dec 16 18:34:09 GMT 2023
PRIMARY
PUBCHEM
90382
Created by admin on Sat Dec 16 18:34:09 GMT 2023 , Edited by admin on Sat Dec 16 18:34:09 GMT 2023
PRIMARY