Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(SC2=CC=CC=N2)C=CC(=C1)C(=O)C=CC1=CC(Cl)=C(Cl)C=C1

InChIKey

InChIKey=KSBYPNSCAAKEAS-UHFFFAOYSA-N

Formula

C20H12Cl2N2O3S

Mass

431.29

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Chalcones and dihydrochalcones

Intermediate Tree Nodes

Not available

Direct Parent

Retrochalcones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Retrochalcone - Diarylthioether - Nitrobenzene - Thiophenol ether - Aryl thioether - Nitroaromatic compound - Styrene - Benzoyl - 1,2-dichlorobenzene - Aryl ketone - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Monocyclic benzene moiety - Acryloyl-group - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Organic nitro compound - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic zwitterion - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

External Descriptors

Not available

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