Structure Information
Structure

Compound Identification

SMILES

OC1=C(O)C=C(C=C1)C(=O)CSC1=NNC(C2=CC=NC=C2)=[N+]1C1=CC=C(Cl)C=C1

InChIKey

InChIKey=GYOZYDWOHLTBHR-UHFFFAOYSA-O

Formula

C21H16ClN4O3S

Mass

439.89

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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 - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,4-triazole - Pyridyltriazole - Pyridyl-1,2,4-triazole - Benzoyl - Aryl alkyl ketone - Catechol - Aryl thioether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Halobenzene - Phenol - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Pyridine - Aryl halide - 1,2,4-triazole - Triazole - Heteroaromatic compound - Azole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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