Structure Information
Structure

Compound Identification

SMILES

CCCCN(CC)C1=NC(C)=NC2=C1SC(=S)N2C1=C(Br)C=C(C=C1)C(C)C

InChIKey

InChIKey=LJRUUGDTTFDUCX-UHFFFAOYSA-N

Formula

C21H27BrN4S2

Mass

479.5

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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 heteropolycyclic compounds

Substituents

Cumene - Phenylpropane - Dialkylarylamine - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Azole - Thiazole - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic 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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