Structure Information
Structure

Compound Identification

SMILES

FC1=CC=C(C=C1)N=C1SC=C(N1CCCN1CCCC1=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=XZCJAIKOMRNWNQ-UHFFFAOYSA-N

Formula

C22H21BrFN3OS

Mass

474.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Halobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Fluorobenzenes

Alternative Parents

Bromobenzenes Pyrrolidine-2-ones Aryl bromides Aryl fluorides N-alkylpyrrolidines Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Isothioureas Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organofluorides Organonitrogen compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Bromobenzene - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Isothiourea - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.

External Descriptors

Not available

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