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Details

Stereochemistry ACHIRAL
Molecular Formula C17H16N2O2S
Molecular Weight 312.386
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(BENZYLTHIO)-6,7-DIMETHOXYCINNOLINE

SMILES

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

InChI

InChIKey=JFNVQDVHUIGOKQ-UHFFFAOYSA-N
InChI=1S/C17H16N2O2S/c1-20-15-8-13-14(9-16(15)21-2)19-18-10-17(13)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H16N2O2S
Molecular Weight 312.386
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 19:49:58 GMT 2025
Edited
by admin
on Tue Apr 01 19:49:58 GMT 2025
Record UNII
YOD697UVU4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-66110
Preferred Name English
4-(BENZYLTHIO)-6,7-DIMETHOXYCINNOLINE
Systematic Name English
CINNOLINE, 4-(BENZYLTHIO)-6,7-DIMETHOXY-
Systematic Name English
CINNOLINE, 6,7-DIMETHOXY-4-((PHENYLMETHYL)THIO)-
Systematic Name English
6,7-DIMETHOXY-4-((PHENYLMETHYL)THIO)CINNOLINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80202126
Created by admin on Tue Apr 01 19:49:58 GMT 2025 , Edited by admin on Tue Apr 01 19:49:58 GMT 2025
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FDA UNII
YOD697UVU4
Created by admin on Tue Apr 01 19:49:58 GMT 2025 , Edited by admin on Tue Apr 01 19:49:58 GMT 2025
PRIMARY
CAS
5387-97-3
Created by admin on Tue Apr 01 19:49:58 GMT 2025 , Edited by admin on Tue Apr 01 19:49:58 GMT 2025
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NSC
66110
Created by admin on Tue Apr 01 19:49:58 GMT 2025 , Edited by admin on Tue Apr 01 19:49:58 GMT 2025
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PUBCHEM
248707
Created by admin on Tue Apr 01 19:49:58 GMT 2025 , Edited by admin on Tue Apr 01 19:49:58 GMT 2025
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