Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=CC(NC2=C3SC4=C(C=CC=C4NC(=O)C=C)C3=NC=C2C#N)=C1

InChIKey

InChIKey=OGMDXVPLRXSYBO-UHFFFAOYSA-N

Formula

C21H13BrN4OS

Mass

449.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiophenes

Subclass

1-benzothiophenes

Intermediate Tree Nodes

Not available

Direct Parent

1-benzothiophenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - N-arylamide - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aminopyridine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl bromide - Primary aromatic amine - Pyridine - Heteroaromatic compound - Acrylic acid or derivatives - Thiophene - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carbonitrile - Carboxylic acid derivative - Nitrile - Azacycle - Secondary amine - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.

External Descriptors

Not available

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