Structure Information
Structure

Compound Identification

SMILES

CN1C(CC(=O)NC2=CC(C)=C(C)C=C2)=NN=C1SCC(=O)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=FLTRRAWLXOYBEP-UHFFFAOYSA-N

Formula

C21H21N5O4S

Mass

439.49

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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 - Nitrobenzene - Anilide - Aryl thioether - Nitroaromatic compound - Benzoyl - O-xylene - Xylene - N-arylamide - Aryl alkyl ketone - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Azole - 1,2,4-triazole - Heteroaromatic compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Thioether - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organonitrogen compound - Organosulfur compound - Organic salt - Organic oxide - Hydrocarbon derivative - Aldehyde - Organic zwitterion - Organic nitrogen compound - 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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