Structure Information
Structure

Compound Identification

SMILES

COC1=C(Br)C=C(C=C1)C(=O)NNC(=S)NC(=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=HYBRTYBRTCTQAA-UHFFFAOYSA-N

Formula

C16H13BrClN3O3S

Mass

442.71

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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

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Aryl bromide - Thiosemicarbazide - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Organobromide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic oxide - Organooxygen compound - Organohalogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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