Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC=C(NC2=NN=C(SCC3=CC=C(Br)C=C3)N(CC=C)C2=O)C=C1

InChIKey

InChIKey=GXYMPDJTXZZJKT-UHFFFAOYSA-N

Formula

C22H23BrN4OS

Mass

471.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Cumenes

Intermediate Tree Nodes

Not available

Direct Parent

Cumenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cumene - Phenylpropane - Aryl thioether - Aniline or substituted anilines - Aminotriazine - Bromobenzene - Halobenzene - Alkylarylthioether - Imidolactam - Aryl bromide - Triazine - 1,2,4-triazine - Aryl halide - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Sulfenyl compound - Thioether - Secondary amine - Azacycle - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.

External Descriptors

Not available

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