Structure Information
Structure

Compound Identification

SMILES

CCCC[C@H](SC1=NN=C(CNC(=O)C2=CC(=CC=C2)C(F)(F)F)O1)C(O)=O

InChIKey

InChIKey=TVXWTPKDLLFGSD-LBPRGKRZSA-N

Formula

C17H18F3N3O4S

Mass

417.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Trifluoromethylbenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Trifluoromethylbenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Medium-chain fatty acid - Halogenated fatty acid - Heterocyclic fatty acid - Alkylarylthioether - Thia fatty acid - Fatty acyl - Fatty acid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Thioether - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organosulfur compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.

External Descriptors

Not available

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