Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC2=C(SC3=C2N=CN=C3NC2=CC=CC(=C2)C(F)(F)F)C=C1

InChIKey

InChIKey=XUMLPLGHKIPVJA-UHFFFAOYSA-N

Formula

C17H9F3N4O2S

Mass

390.34

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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 heteropolycyclic compounds

Substituents

Trifluoromethylbenzene - Benzothiophene - 1-benzothiophene - Thienopyrimidine - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Thiophene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl halide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Amine - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Organic salt - Aromatic heteropolycyclic 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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