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Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=C(C=C1)N1C(SC=C1C1=CC=C(Br)C=C1)=NC(=O)C1=CC=CC=C1F

InChIKey

InChIKey=XEPYMDLSIMRNCH-UHFFFAOYSA-N

Formula

C24H18BrFN2O2S

Mass

497.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Vinylogous halide - Thiazole - Isothiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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