Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCN2C=C(NC(=O)C=CC3=CC(Br)=C(F)C=C3)C=N2)SC=N1

InChIKey

InChIKey=UWUIRGHOLJDNNT-UHFFFAOYSA-N

Formula

C18H16BrFN4OS

Mass

435.32

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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 - Styrene - N-arylamide - 4,5-disubstituted 1,3-thiazole - Fluorobenzene - Halobenzene - Bromobenzene - Benzenoid - Aryl fluoride - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Thiazole - Pyrazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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