Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=C(C=C1)C1=CSC(=N1)C(=CNC1=C(Br)C=C(C)C=C1)C#N

InChIKey

InChIKey=WGCHANABYWYHAN-UHFFFAOYSA-N

Formula

C21H18BrN3S

Mass

424.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Aminotoluenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-bromoaniline - Aniline or substituted anilines - Aminotoluene - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Enamine - Carbonitrile - Nitrile - Hydrocarbon derivative - Amine - Organonitrogen compound - Cyanide - Organic nitrogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.

External Descriptors

Not available

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