Structure Information
Structure

Compound Identification

SMILES

CN1C=CN=C1SC1=C(C=C(C=C(C#N)C(=O)NC2=C(C)C(Cl)=CC=C2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=WUVFSMANNFRYGT-UHFFFAOYSA-N

Formula

C21H16ClN5O3S

Mass

453.9

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acid amides

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acid amides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid amide - Diarylthioether - Nitrobenzene - Anilide - Aryl thioether - Nitroaromatic compound - Thiophenol ether - N-arylamide - Toluene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Carbonyl group - Organic oxide - Cyanide - Hydrocarbon derivative - Organic zwitterion - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic salt - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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