Structure Information
Structure

Compound Identification

SMILES

COCCN1C(SC2=C1C=CC(Br)=C2)=NC(=O)C1=CC(Cl)=CC=C1

InChIKey

InChIKey=NDLSBRHFGOTTKU-UHFFFAOYSA-N

Formula

C17H14BrClN2O2S

Mass

425.73

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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 - 1,3-benzothiazole - Benzoyl - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Isothiourea - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organobromide - Organohalogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organochloride - 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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