Structure Information
Structure

Compound Identification

SMILES

CC1=NN2C(=C1)N=NC(C(=O)N1CCC(CC1)C1=NC(=CS1)C(=O)NNC(=O)C1=CC(Cl)=CC=C1)=C2C

InChIKey

InChIKey=LLQNEQWJCFQUMU-UHFFFAOYSA-N

Formula

C24H23ClN8O3S

Mass

539.01

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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

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - N-acyl-piperidine - Pyrazolotriazine - 2-heteroaryl carboxamide - Benzoyl - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,2,4-triazine - Piperidine - Triazine - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Thiazole - Tertiary carboxylic acid amide - Carboxylic acid hydrazide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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