Structure Information
Structure

Compound Identification

SMILES

CC1=NC(NC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)=C(CCl)C(=C1)N1C=CC(=N1)C1=NC=CS1

InChIKey

InChIKey=GXLHRPYIYQJGFK-UHFFFAOYSA-N

Formula

C21H14ClF6N5S

Mass

517.88

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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 - Aniline or substituted anilines - Aminopyridine - Methylpyridine - Pyridine - Imidolactam - Azole - Pyrazole - Thiazole - Heteroaromatic compound - Secondary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl chloride - Organic nitrogen compound - Alkyl halide - Amine - 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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