Structure Information
Structure

Compound Identification

SMILES

CN1C=CN=C1SC1=C(C=C(C=CC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1)[N+]([O-])=O

InChIKey

InChIKey=ZTOHSRIOOQOENW-UHFFFAOYSA-N

Formula

C19H14N4O5S

Mass

410.4

Export to:

JSON SDF CSV

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 - Nitrobenzene - Thiophenol ether - Styrene - Aryl thioether - Aryl ketone - Nitroaromatic compound - Benzoyl - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Alpha,beta-unsaturated ketone - Imidazole - Enone - Azole - Heteroaromatic compound - Organic nitro compound - Ketone - C-nitro compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic zwitterion - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur 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

Previous Back Next