Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(SC2=NC=CC=N2)C=CC(\C=C\C(=O)C2=CC=C(C=C2)S(=O)(=O)N2CCOCC2)=C1

InChIKey

InChIKey=FDOMPYGZZXYFQO-KRXBUXKQSA-N

Formula

C23H20N4O6S2

Mass

512.56

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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 - Cinnamic acid or derivatives - Diarylthioether - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Thiophenol ether - Aryl thioether - Nitroaromatic compound - Benzoyl - Styrene - Aryl ketone - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Oxazinane - Morpholine - Organic sulfonic acid or derivatives - Acryloyl-group - Organosulfonic acid or derivatives - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Sulfonyl - Ketone - Organic nitro compound - C-nitro compound - Dialkyl ether - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organopnictogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aldehyde - Organic zwitterion - Organic oxygen 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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