Structure Information
Structure

Compound Identification

SMILES

CCN1C(CCNC(C)=O)=NN=C1SCC(=O)C1=CC=C(I)C=C1

InChIKey

InChIKey=IMWFUAFUSMXRDK-UHFFFAOYSA-N

Formula

C16H19IN4O2S

Mass

458.32

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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 - N-acetyl-2-arylethylamine - Aryl thioether - Benzoyl - Aryl alkyl ketone - Halobenzene - Iodobenzene - Alkylarylthioether - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Thioether - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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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