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Structure Information
Structure

Compound Identification

SMILES

C[C@]1(O)N=C([S-])[C@@H](C#N)[C@H]([C@@H]1[N+]1=CC=CC=C1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=XCZGNYQTQOYPAF-UIBIWLFHSA-N

Formula

C18H16ClN3OS

Mass

357.86

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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 - Tetrahydropyridine - Aryl chloride - Aryl halide - Hydropyridine - Pyridine - Pyridinium - Heteroaromatic compound - Cyclic imidothioic acid - Alkanolamine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Cyanide - Organic salt - Organic zwitterion - Hydrocarbon derivative - 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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