4,6-Bis((2-chlorobenzyl)thio)cinnoline

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H16Cl2N2S2
Molecular Weight	443.412
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,6-Bis((2-chlorobenzyl)thio)cinnoline

Structure Search

SMILES

ClC1=CC=CC=C1CSC2=CC3=C(SCC4=CC=CC=C4Cl)C=NN=C3C=C2

InChI

InChIKey=HXTRNHWXLRJMDK-UHFFFAOYSA-N

InChI=1S/C22H16Cl2N2S2/c23-19-7-3-1-5-15(19)13-27-17-9-10-21-18(11-17)22(12-25-26-21)28-14-16-6-2-4-8-20(16)24/h1-12H,13-14H2

HIDE SMILES / InChI

Molecular Formula	C22H16Cl2N2S2
Molecular Weight	443.412
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 20:04:04 GMT 2025` Edited by `admin` on `Tue Apr 01 20:04:04 GMT 2025`
Record UNII	G35ZZJ66M3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-66125

Preferred Name

English

4,6-Bis((2-chlorobenzyl)thio)cinnoline

Systematic Name

English

4,6-Bis[[(2-chlorophenyl)methyl]thio]cinnoline

Systematic Name

English

Cinnoline, 4,6-bis[[(2-chlorophenyl)methyl]thio]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

248722

Created by admin on Tue Apr 01 20:04:04 GMT 2025 , Edited by admin on Tue Apr 01 20:04:04 GMT 2025

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NSC

66125

Created by admin on Tue Apr 01 20:04:04 GMT 2025 , Edited by admin on Tue Apr 01 20:04:04 GMT 2025

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EPA CompTox

DTXSID00219832

Created by admin on Tue Apr 01 20:04:04 GMT 2025 , Edited by admin on Tue Apr 01 20:04:04 GMT 2025

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CAS

6957-47-7

Created by admin on Tue Apr 01 20:04:04 GMT 2025 , Edited by admin on Tue Apr 01 20:04:04 GMT 2025

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FDA UNII

G35ZZJ66M3

Created by admin on Tue Apr 01 20:04:04 GMT 2025 , Edited by admin on Tue Apr 01 20:04:04 GMT 2025

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