Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)N1C(=N)C(C#N)=C(CC1=C(C#N)C#N)C1=CC=C(Br)C=C1

InChIKey

InChIKey=SPCDNSRAFVTGKP-UHFFFAOYSA-N

Formula

C21H11BrClN5

Mass

448.71

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Aromatic monoterpenoids

Alternative Parents

Monocyclic monoterpenoids Chlorobenzenes Bromobenzenes Imidolactams Hydropyridines Aryl chlorides Aryl bromides Nitriles Carboxamidines Azacyclic compounds Organochlorides Organobromides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aromatic monoterpenoid - Monocyclic monoterpenoid - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Imidolactam - Carbonitrile - Organoheterocyclic compound - Azacycle - Carboxylic acid amidine - Nitrile - Amidine - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.

External Descriptors

Not available

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