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Details

Stereochemistry ACHIRAL
Molecular Formula C17H14Cl2N2O2S
Molecular Weight 381.276
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline

SMILES

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

InChI

InChIKey=SIPXDXODSCFWAY-UHFFFAOYSA-N
InChI=1S/C17H14Cl2N2O2S/c1-22-15-6-12-14(7-16(15)23-2)21-20-8-17(12)24-9-10-3-4-11(18)5-13(10)19/h3-8H,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H14Cl2N2O2S
Molecular Weight 381.276
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 19:47:08 GMT 2025
Edited
by admin
on Tue Apr 01 19:47:08 GMT 2025
Record UNII
27K7T77U89
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-66107
Preferred Name English
4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline
Systematic Name English
4-[[(2,4-Dichlorophenyl)methyl]thio]-6,7-dimethoxycinnoline
Systematic Name English
4-[(2,4-Dichlorophenyl)methylsulfanyl]-6,7-dimethoxycinnoline
Systematic Name English
Cinnoline, 4-[[(2,4-dichlorophenyl)methyl]thio]-6,7-dimethoxy-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40201776
Created by admin on Tue Apr 01 19:47:08 GMT 2025 , Edited by admin on Tue Apr 01 19:47:08 GMT 2025
PRIMARY
CAS
5356-20-7
Created by admin on Tue Apr 01 19:47:08 GMT 2025 , Edited by admin on Tue Apr 01 19:47:08 GMT 2025
PRIMARY
PUBCHEM
248704
Created by admin on Tue Apr 01 19:47:08 GMT 2025 , Edited by admin on Tue Apr 01 19:47:08 GMT 2025
PRIMARY
FDA UNII
27K7T77U89
Created by admin on Tue Apr 01 19:47:08 GMT 2025 , Edited by admin on Tue Apr 01 19:47:08 GMT 2025
PRIMARY
NSC
66107
Created by admin on Tue Apr 01 19:47:08 GMT 2025 , Edited by admin on Tue Apr 01 19:47:08 GMT 2025
PRIMARY