Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C(C#N)=C(NC(=S)NC(=O)C=CC2=CC=C(O2)C2=CC=C(Cl)C=C2)S1

InChIKey

InChIKey=ZQUBJFYMWGJQQI-UHFFFAOYSA-N

Formula

C21H16ClN3O2S2

Mass

441.95

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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 - Furan - Thiophene - Heteroaromatic compound - Thiourea - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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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