Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(=C1)C(=O)CSC1=NN=C(N1C1=CC=C(Br)C=C1)C1=CC=CC=C1

InChIKey

InChIKey=LROLJJVBSLPBOB-UHFFFAOYSA-N

Formula

C22H15BrN4O3S

Mass

495.35

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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 - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Aryl thioether - Alkylarylthioether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Triazole - 1,2,4-triazole - Organic nitro compound - C-nitro compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Thioether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic salt - Organonitrogen compound - Organic oxide - Organosulfur compound - Organic zwitterion - 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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