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Details

Stereochemistry ACHIRAL
Molecular Formula C19H21N5O4S
Molecular Weight 415.466
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-[Ethyl[3-methyl-4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]propanenitrile

SMILES

CCN(CCC#N)C1=CC(C)=C(C=C1)N=NC2=C(C=C(C=C2)[N+]([O-])=O)S(C)(=O)=O

InChI

InChIKey=DSWGJDDMNDOKIV-QURGRASLSA-N
InChI=1S/C19H21N5O4S/c1-4-23(11-5-10-20)15-6-8-17(14(2)12-15)21-22-18-9-7-16(24(25)26)13-19(18)29(3,27)28/h6-9,12-13H,4-5,11H2,1-3H3/b22-21+

HIDE SMILES / InChI

Molecular Formula C19H21N5O4S
Molecular Weight 415.466
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 11:59:10 GMT 2023
Edited
by admin
on Sat Dec 16 11:59:10 GMT 2023
Record UNII
LHV55JXX9T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[Ethyl[3-methyl-4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]propanenitrile
Systematic Name English
PROPANENITRILE, 3-(ETHYL(3-METHYL-4-((2-(METHYLSULFONYL)-4-NITROPHENYL)AZO)PHENYL)AMINO)-
Systematic Name English
Propanenitrile, 3-[ethyl[3-methyl-4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]-
Systematic Name English
Code System Code Type Description
FDA UNII
LHV55JXX9T
Created by admin on Sat Dec 16 11:59:10 GMT 2023 , Edited by admin on Sat Dec 16 11:59:10 GMT 2023
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EPA CompTox
DTXSID8070837
Created by admin on Sat Dec 16 11:59:10 GMT 2023 , Edited by admin on Sat Dec 16 11:59:10 GMT 2023
PRIMARY
CAS
67906-60-9
Created by admin on Sat Dec 16 11:59:10 GMT 2023 , Edited by admin on Sat Dec 16 11:59:10 GMT 2023
PRIMARY
ECHA (EC/EINECS)
267-728-0
Created by admin on Sat Dec 16 11:59:10 GMT 2023 , Edited by admin on Sat Dec 16 11:59:10 GMT 2023
PRIMARY
PUBCHEM
106117
Created by admin on Sat Dec 16 11:59:10 GMT 2023 , Edited by admin on Sat Dec 16 11:59:10 GMT 2023
PRIMARY