Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC=C(C=C1)C1=C(SC2=NN=C(N2N1C(C)=O)C(F)(F)F)C(C)=O

InChIKey

InChIKey=HSLHMHGZIZVQOA-UHFFFAOYSA-N

Formula

C18H17F3N4O2S

Mass

410.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid or derivatives - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Phenylpropane - Cumene - Aryl thioether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Acetamide - 1,2,4-triazole - Thioenolether - Ketone - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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