U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H10ClFN2S
Molecular Weight 304.77
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((4-Chlorobenzyl)thio)-6-fluorocinnoline

SMILES

FC1=CC2=C(SCC3=CC=C(Cl)C=C3)C=NN=C2C=C1

InChI

InChIKey=RBSLPUCWGAMXDY-UHFFFAOYSA-N
InChI=1S/C15H10ClFN2S/c16-11-3-1-10(2-4-11)9-20-15-8-18-19-14-6-5-12(17)7-13(14)15/h1-8H,9H2

HIDE SMILES / InChI

Molecular Formula C15H10ClFN2S
Molecular Weight 304.77
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 19:47:19 GMT 2025
Edited
by admin
on Tue Apr 01 19:47:19 GMT 2025
Record UNII
K4J8VY9SU3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-66094
Preferred Name English
4-((4-Chlorobenzyl)thio)-6-fluorocinnoline
Systematic Name English
4-[(4-chlorophenyl)methylsulfanyl]-6-fluorocinnoline
Systematic Name English
Cinnoline, 4-[[(4-chlorophenyl)methyl]thio]-6-fluoro-
Systematic Name English
Cinnoline, 4-[(p-chlorobenzyl)thio]-6-fluoro-
Systematic Name English
4-[[(4-Chlorophenyl)methyl]thio]-6-fluorocinnoline
Systematic Name English
Code System Code Type Description
NSC
66094
Created by admin on Tue Apr 01 19:47:19 GMT 2025 , Edited by admin on Tue Apr 01 19:47:19 GMT 2025
PRIMARY
CAS
2195-60-0
Created by admin on Tue Apr 01 19:47:19 GMT 2025 , Edited by admin on Tue Apr 01 19:47:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID40176359
Created by admin on Tue Apr 01 19:47:19 GMT 2025 , Edited by admin on Tue Apr 01 19:47:19 GMT 2025
PRIMARY
FDA UNII
K4J8VY9SU3
Created by admin on Tue Apr 01 19:47:19 GMT 2025 , Edited by admin on Tue Apr 01 19:47:19 GMT 2025
PRIMARY
PUBCHEM
248691
Created by admin on Tue Apr 01 19:47:19 GMT 2025 , Edited by admin on Tue Apr 01 19:47:19 GMT 2025
PRIMARY