Structure Information
Structure

Compound Identification

SMILES

[I-].COC1=CC=C(C=C1)C(=O)C[NH+](C1=NCCN1)C1=NN=C(C)S1

InChIKey

InChIKey=TWNYHGAAPQLPEO-UHFFFAOYSA-N

Formula

C15H18IN5O2S

Mass

459.31

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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 - Phenol ether - Aryl alkyl ketone - Benzoyl - Methoxybenzene - Anisole - Phenoxy compound - 2-amino-5-substituted-1,3,4-thiadiazole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 2-amino-1,3,4-thiadiazole - Thiadiazole - Heteroaromatic compound - Azole - 2-imidazoline - Guanidine - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxide - Organopnictogen compound - Organic iodide salt - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen 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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