Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(CN2C(=S)SC(=CC3=C(SC4=CC=C(Cl)C=C4)N=C4C=CC(C)=CN4C3=O)C2=O)C=C1

InChIKey

InChIKey=LTQBZZHSRPSSGW-UHFFFAOYSA-N

Formula

C27H20ClN3O2S3

Mass

550.11

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Thioethers

Subclass

Aryl thioethers

Intermediate Tree Nodes

Not available

Direct Parent

Diarylthioethers

Alternative Parents

Pyridopyrimidines Thiophenol ethers Toluenes Pyrimidones Chlorobenzenes Methylpyridines Vinylogous thioesters Thiazolidinethiones Aryl chlorides Cyclic dithiocarbamic acid esters Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Diarylthioether - Pyridopyrimidine - Thiophenol ether - Chlorobenzene - Methylpyridine - Halobenzene - Pyrimidone - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Vinylogous thioester - Pyrimidine - Benzenoid - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Heteroaromatic compound - Dithiocarbamic acid ester - Thiazolidine - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.

External Descriptors

Not available

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