Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1(C#N)C(=O)CSC1=NC1=CC=CC=C1Cl

InChIKey

InChIKey=NIQUVYQDICZJFG-UHFFFAOYSA-N

Formula

C14H11ClN2O3S

Mass

322.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Halobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Chlorobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Chlorobenzene - Aryl chloride - Aryl halide - Imidothiolactone - Thiolane - Carboxylic acid ester - Ketone - Cyclic ketone - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Carbonyl group - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.

External Descriptors

Not available

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