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Details

Stereochemistry ACHIRAL
Molecular Formula C25H15ClN4
Molecular Weight 406.866
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-[2-(4-Chlorophenyl)ethenyl]-5-(2H-naphtho[1,2-d]triazol-2-yl)benzonitrile

SMILES

ClC1=CC=C(\C=C\C2=CC=C(C=C2C#N)N3N=C4C=CC5=CC=CC=C5C4=N3)C=C1

InChI

InChIKey=VZMOHDAVPDNZFE-VMPITWQZSA-N
InChI=1S/C25H15ClN4/c26-21-11-6-17(7-12-21)5-8-18-9-13-22(15-20(18)16-27)30-28-24-14-10-19-3-1-2-4-23(19)25(24)29-30/h1-15H/b8-5+

HIDE SMILES / InChI

Molecular Formula C25H15ClN4
Molecular Weight 406.866
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 12:14:02 GMT 2023
Edited
by admin
on Sat Dec 16 12:14:02 GMT 2023
Record UNII
J93BYE9RGY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[2-(4-Chlorophenyl)ethenyl]-5-(2H-naphtho[1,2-d]triazol-2-yl)benzonitrile
Systematic Name English
2-Stilbenecarbonitrile, 4′-chloro-4-(2H-naphtho[1,2-d]triazol-2-yl)-
Systematic Name English
Benzonitrile, 2-[2-(4-chlorophenyl)ethenyl]-5-(2H-naphtho[1,2-d]triazol-2-yl)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
226-860-9
Created by admin on Sat Dec 16 12:14:02 GMT 2023 , Edited by admin on Sat Dec 16 12:14:02 GMT 2023
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FDA UNII
J93BYE9RGY
Created by admin on Sat Dec 16 12:14:02 GMT 2023 , Edited by admin on Sat Dec 16 12:14:02 GMT 2023
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PUBCHEM
6437601
Created by admin on Sat Dec 16 12:14:02 GMT 2023 , Edited by admin on Sat Dec 16 12:14:02 GMT 2023
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CAS
5516-20-1
Created by admin on Sat Dec 16 12:14:02 GMT 2023 , Edited by admin on Sat Dec 16 12:14:02 GMT 2023
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EPA CompTox
DTXSID6063939
Created by admin on Sat Dec 16 12:14:02 GMT 2023 , Edited by admin on Sat Dec 16 12:14:02 GMT 2023
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