Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(CSC2=NC3=C(CCCCC3)C=C2C#N)OC(N)=C(C#N)C1C1=CC(Br)=CC=C1

InChIKey

InChIKey=KEDNMTNKCDWJDL-UHFFFAOYSA-N

Formula

C26H23BrN4O3S

Mass

551.46

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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

Aryl thioethers

Alternative Parents

Alkylarylthioethers Bromobenzenes Pyridines and derivatives Pyrans Aryl bromides Vinylogous esters Enoate esters Heteroaromatic compounds Methyl esters Ketene acetals Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl thioether - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyran - Pyridine - Benzenoid - Heteroaromatic compound - Methyl ester - Enoate ester - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketene acetal or derivatives - Sulfenyl compound - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Cyanide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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