Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=C(CC2=C(C3=CC=CC=C3S2)S(=O)(=O)NC2=C(Br)C(C)=NO2)C=C1

InChIKey

InChIKey=IPZBJXVEBUKSJF-UHFFFAOYSA-N

Formula

C21H19BrN2O3S2

Mass

491.42

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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 - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Azole - Isoxazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Thiophene - Sulfonyl - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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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