Structure Information
Structure

Compound Identification

SMILES

CC1=CC(\C=C2/C(=N)N3N=C(SC3=NC2=O)C2=CC=C(C)C=C2)=C(C)N1C1=CC=C(Br)C=C1

InChIKey

InChIKey=MKYBWYQXBIFCBW-BDPOZWGGSA-N

Formula

C25H20BrN5OS

Mass

518.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Substituted pyrroles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrroles

Alternative Parents

Toluenes Pyrimidones Bromobenzenes Aryl bromides Imidolactams Hydropyrimidines Thiadiazolines Heteroaromatic compounds N-acylimines Propargyl-type 1,3-dipolar organic compounds Amidines Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylpyrrole - Bromobenzene - Halobenzene - Toluene - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Thiadiazoline - N-acylimine - Amidine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.

External Descriptors

Not available

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