Structure Information
Structure

Compound Identification

SMILES

CN1C(SCC(=O)C2=C(C)N(C(C)=C2)C2=CC=C(Br)C=C2)=NC2=CC=CC=C12

InChIKey

InChIKey=BMHQKBMVKVMFJP-UHFFFAOYSA-N

Formula

C22H20BrN3OS

Mass

454.39

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylpyrrole - Benzimidazole - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - N-substituted imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Ketone - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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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