Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(OCCSC2=NN=C(CCNC(=O)C3=CC=CC=C3F)N2C)C=C1

InChIKey

InChIKey=GKHKNKZQERZMTA-UHFFFAOYSA-N

Formula

C21H23FN4O3S

Mass

430.5

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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 - Benzamide - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Methoxybenzene - Aryl thioether - Alkyl aryl ether - Fluorobenzene - Alkylarylthioether - Halobenzene - Aryl halide - Aryl fluoride - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Secondary carboxylic acid amide - Carboxamide group - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur 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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