4,6-Bis(benzylthio)cinnoline

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H18N2S2
Molecular Weight	374.522
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,6-Bis(benzylthio)cinnoline

Structure Search

SMILES

C(SC1=CC2=C(C=C1)N=NC=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=XQMJVNPACMENQI-UHFFFAOYSA-N

InChI=1S/C22H18N2S2/c1-3-7-17(8-4-1)15-25-19-11-12-21-20(13-19)22(14-23-24-21)26-16-18-9-5-2-6-10-18/h1-14H,15-16H2

HIDE SMILES / InChI

Molecular Formula	C22H18N2S2
Molecular Weight	374.522
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 20:26:22 GMT 2025` Edited by `admin` on `Tue Apr 01 20:26:22 GMT 2025`
Record UNII	EJ28AM66Q5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4,6-Bis(benzylthio)cinnoline

Systematic Name

English

NSC-66129

Preferred Name

English

4,6-Bis[(phenylmethyl)thio]cinnoline

Systematic Name

English

Cinnoline, 4,6-bis[(phenylmethyl)thio]-

Systematic Name

English

Cinnoline, 4,6-bis(benzylthio)-

Systematic Name

English

Code System Code Type Description

NSC

66129

Created by admin on Tue Apr 01 20:26:22 GMT 2025 , Edited by admin on Tue Apr 01 20:26:22 GMT 2025

PRIMARY

PUBCHEM

248726

Created by admin on Tue Apr 01 20:26:22 GMT 2025 , Edited by admin on Tue Apr 01 20:26:22 GMT 2025

PRIMARY

CAS

6957-43-3

Created by admin on Tue Apr 01 20:26:22 GMT 2025 , Edited by admin on Tue Apr 01 20:26:22 GMT 2025

PRIMARY

FDA UNII

EJ28AM66Q5

Created by admin on Tue Apr 01 20:26:22 GMT 2025 , Edited by admin on Tue Apr 01 20:26:22 GMT 2025

PRIMARY

EPA CompTox

DTXSID10219828

Created by admin on Tue Apr 01 20:26:22 GMT 2025 , Edited by admin on Tue Apr 01 20:26:22 GMT 2025

PRIMARY