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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-((2-Chlorobenzyl)thio)-6,7-dimethoxycinnoline

SMILES

COC1=C(OC)C=C2C(SCC3=CC=CC=C3Cl)=CN=NC2=C1

InChI

InChIKey=KDYLMNMODCWKQA-UHFFFAOYSA-N
InChI=1S/C17H15ClN2O2S/c1-21-15-7-12-14(8-16(15)22-2)20-19-9-17(12)23-10-11-5-3-4-6-13(11)18/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 19:40:27 GMT 2025
Edited
by admin
on Tue Apr 01 19:40:27 GMT 2025
Record UNII
4K9JPM6VVN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((2-Chlorobenzyl)thio)-6,7-dimethoxycinnoline
Systematic Name English
NSC-66108
Preferred Name English
4-[(2-Chlorophenyl)methylsulfanyl]-6,7-dimethoxycinnoline
Systematic Name English
Cinnoline, 4-[[(2-chlorophenyl)methyl]thio]-6,7-dimethoxy-
Systematic Name English
4-[[(2-Chlorophenyl)methyl]thio]-6,7-dimethoxycinnoline
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40202127
Created by admin on Tue Apr 01 19:40:27 GMT 2025 , Edited by admin on Tue Apr 01 19:40:27 GMT 2025
PRIMARY
PUBCHEM
248705
Created by admin on Tue Apr 01 19:40:27 GMT 2025 , Edited by admin on Tue Apr 01 19:40:27 GMT 2025
PRIMARY
FDA UNII
4K9JPM6VVN
Created by admin on Tue Apr 01 19:40:27 GMT 2025 , Edited by admin on Tue Apr 01 19:40:27 GMT 2025
PRIMARY
NSC
66108
Created by admin on Tue Apr 01 19:40:27 GMT 2025 , Edited by admin on Tue Apr 01 19:40:27 GMT 2025
PRIMARY
CAS
5387-98-4
Created by admin on Tue Apr 01 19:40:27 GMT 2025 , Edited by admin on Tue Apr 01 19:40:27 GMT 2025
PRIMARY