Structure Information
Structure

Compound Identification

SMILES

CC1=C(NC(=O)CSC2=NN=C(CCNC(=O)C3=CC=CC=C3F)N2CC=C)C=C(Cl)C=C1

InChIKey

InChIKey=QVHIYPHOLYRFCH-UHFFFAOYSA-N

Formula

C23H23ClFN5O2S

Mass

487.98

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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 - Anilide - Aryl thioether - Benzoyl - N-arylamide - Halobenzene - Fluorobenzene - Chlorobenzene - Alkylarylthioether - Toluene - Aryl chloride - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen 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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