Structure Information
Structure

Compound Identification

SMILES

FC1=CC=CC(C(=O)N2CCN(CC3=NC(NC4=NC=C(Br)S4)=CC=C3)CC2)=C1F

InChIKey

InChIKey=BQGFWDVQZWHPFU-UHFFFAOYSA-N

Formula

C20H18BrF2N5OS

Mass

494.36

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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 heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 6-substituted-2-pyridinylmethylamine - Benzamide - Benzoyl - 2-pyridylmethylamine - 2,5-disubstituted 1,3-thiazole - Aminopyridine - N-alkylpiperazine - Fluorobenzene - Aralkylamine - Halobenzene - Imidolactam - Pyridine - Piperazine - 1,4-diazinane - Aryl bromide - 1,3-thiazol-2-amine - Aryl halide - Aryl fluoride - Tertiary carboxylic acid amide - Thiazole - Vinylogous halide - Azole - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Secondary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Aromatic heteromonocyclic 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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