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Details

Stereochemistry ACHIRAL
Molecular Formula C22H20N4S2
Molecular Weight 404.551
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ((4-((2-(2-BENZOTHIAZOLYLTHIO)ETHYL)ETHYLAMINO)-2-METHYLPHENYL)METHYLENE)MALONONITRILE

SMILES

CCN(CCSC1=NC2=C(S1)C=CC=C2)C3=CC=C(C=C(C#N)C#N)C(C)=C3

InChI

InChIKey=IOUGHRXCRJHWEF-UHFFFAOYSA-N
InChI=1S/C22H20N4S2/c1-3-26(10-11-27-22-25-20-6-4-5-7-21(20)28-22)19-9-8-18(16(2)12-19)13-17(14-23)15-24/h4-9,12-13H,3,10-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C22H20N4S2
Molecular Weight 404.551
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:38:15 GMT 2025
Edited
by admin
on Tue Apr 01 18:38:15 GMT 2025
Record UNII
FEN6BVY6C8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPANEDINITRILE, ((4-((2-(2-BENZOTHIAZOLYLTHIO)ETHYL)ETHYLAMINO)-2-METHYLPHENYL)METHYLENE)-
Preferred Name English
((4-((2-(2-BENZOTHIAZOLYLTHIO)ETHYL)ETHYLAMINO)-2-METHYLPHENYL)METHYLENE)MALONONITRILE
Systematic Name English
C.I. 480073
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
252-112-6
Created by admin on Tue Apr 01 18:38:15 GMT 2025 , Edited by admin on Tue Apr 01 18:38:15 GMT 2025
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PUBCHEM
118708
Created by admin on Tue Apr 01 18:38:15 GMT 2025 , Edited by admin on Tue Apr 01 18:38:15 GMT 2025
PRIMARY
CAS
34613-03-1
Created by admin on Tue Apr 01 18:38:15 GMT 2025 , Edited by admin on Tue Apr 01 18:38:15 GMT 2025
PRIMARY
FDA UNII
FEN6BVY6C8
Created by admin on Tue Apr 01 18:38:15 GMT 2025 , Edited by admin on Tue Apr 01 18:38:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID8067860
Created by admin on Tue Apr 01 18:38:15 GMT 2025 , Edited by admin on Tue Apr 01 18:38:15 GMT 2025
PRIMARY