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Details

Stereochemistry ACHIRAL
Molecular Formula C20H18N6O4S
Molecular Weight 438.46
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]-

SMILES

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)\N=N\C2=NC3=CC=C(C=C3S2)[N+]([O-])=O

InChI

InChIKey=ZNUBBVSUTSNSIM-WCWDXBQESA-N
InChI=1S/C20H18N6O4S/c1-14(27)30-12-11-25(10-2-9-21)16-5-3-15(4-6-16)23-24-20-22-18-8-7-17(26(28)29)13-19(18)31-20/h3-8,13H,2,10-12H2,1H3/b24-23+

HIDE SMILES / InChI

Approval Year

Name Type Language
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]-
Systematic Name English
3-[[2-(Acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile
Systematic Name English
Code System Code Type Description
FDA UNII
P65H6HJW6P
Created by admin on Sat Dec 16 20:23:14 GMT 2023 , Edited by admin on Sat Dec 16 20:23:14 GMT 2023
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CAS
68133-69-7
Created by admin on Sat Dec 16 20:23:14 GMT 2023 , Edited by admin on Sat Dec 16 20:23:14 GMT 2023
PRIMARY
PUBCHEM
109546
Created by admin on Sat Dec 16 20:23:14 GMT 2023 , Edited by admin on Sat Dec 16 20:23:14 GMT 2023
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EPA CompTox
DTXSID8071146
Created by admin on Sat Dec 16 20:23:14 GMT 2023 , Edited by admin on Sat Dec 16 20:23:14 GMT 2023
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ECHA (EC/EINECS)
268-697-6
Created by admin on Sat Dec 16 20:23:14 GMT 2023 , Edited by admin on Sat Dec 16 20:23:14 GMT 2023
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