Structure Information
Structure

Compound Identification

SMILES

CC1=CC(NC(=O)CSC2=NN=C(CNC(=O)C3=CC=CC=C3F)O2)=C(C)C=C1

InChIKey

InChIKey=QXTBQXLDTZKZRI-UHFFFAOYSA-N

Formula

C20H19FN4O3S

Mass

414.46

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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 - Anilide - Benzamide - Aryl thioether - N-arylamide - Benzoyl - P-xylene - Xylene - Halobenzene - Alkylarylthioether - Fluorobenzene - Aryl halide - Aryl fluoride - 1,3,4-oxadiazole - Vinylogous halide - Oxadiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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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