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Details

Stereochemistry ACHIRAL
Molecular Formula C17H15ClN2O2S
Molecular Weight 346.831
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((4-Chlorobenzyl)thio)-6,7-dimethoxycinnoline

SMILES

COC1=C(OC)C=C2C(SCC3=CC=C(Cl)C=C3)=CN=NC2=C1

InChI

InChIKey=ZJUYBBVBNRLVHV-UHFFFAOYSA-N
InChI=1S/C17H15ClN2O2S/c1-21-15-7-13-14(8-16(15)22-2)20-19-9-17(13)23-10-11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H15ClN2O2S
Molecular Weight 346.831
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 19:46:31 GMT 2025
Edited
by admin
on Tue Apr 01 19:46:31 GMT 2025
Record UNII
NN4J6VC3YB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-66109
Preferred Name English
4-((4-Chlorobenzyl)thio)-6,7-dimethoxycinnoline
Systematic Name English
Cinnoline, 4-[[(4-chlorophenyl)methyl]thio]-6,7-dimethoxy-
Systematic Name English
4-[[(4-Chlorophenyl)methyl]thio]-6,7-dimethoxycinnoline
Systematic Name English
4-[(4-Chlorophenyl)methylsulfanyl]-6,7-dimethoxycinnoline
Systematic Name English
Code System Code Type Description
CAS
5387-86-0
Created by admin on Tue Apr 01 19:46:32 GMT 2025 , Edited by admin on Tue Apr 01 19:46:32 GMT 2025
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EPA CompTox
DTXSID20202125
Created by admin on Tue Apr 01 19:46:32 GMT 2025 , Edited by admin on Tue Apr 01 19:46:32 GMT 2025
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PUBCHEM
248706
Created by admin on Tue Apr 01 19:46:32 GMT 2025 , Edited by admin on Tue Apr 01 19:46:32 GMT 2025
PRIMARY
FDA UNII
NN4J6VC3YB
Created by admin on Tue Apr 01 19:46:32 GMT 2025 , Edited by admin on Tue Apr 01 19:46:32 GMT 2025
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NSC
66109
Created by admin on Tue Apr 01 19:46:32 GMT 2025 , Edited by admin on Tue Apr 01 19:46:32 GMT 2025
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