Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=CC(C)=C1OC1=C(C(N)=C(C#N)C(Cl)=C1Br)C1=NC=CC=N1)C#N

InChIKey

InChIKey=SKGUIOUQUAJRLN-UHFFFAOYSA-N

Formula

C20H13BrClN5O

Mass

454.71

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Diphenylethers

Intermediate Tree Nodes

Not available

Direct Parent

Bromodiphenyl ethers

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Bromodiphenyl ether - Diaryl ether - Benzonitrile - Phenoxy compound - M-xylene - Xylene - Phenol ether - 1-bromo,2-chlorobenzene - 1,2-dihalobenzene - Aniline or substituted anilines - Bromobenzene - Chlorobenzene - Halobenzene - Pyrimidine - Aryl chloride - Aryl halide - Aryl bromide - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Ether - Nitrile - Carbonitrile - Primary amine - Organohalogen compound - Organobromide - Cyanide - Organic oxygen compound - Amine - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group.

External Descriptors

Not available

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