Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CNNC2=NC(=O)[C@@H](CC3=CC=C(Cl)C=C3)S2)C=CC1=O

InChIKey

InChIKey=FJQQGSWKNLGOLQ-MRXNPFEDSA-N

Formula

C18H16ClN3O3S

Mass

389.85

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

P-quinomethanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

P-quinomethane - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Meta-thiazoline - N-acylimine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.

External Descriptors

Not available

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