Structure Information
Structure

Compound Identification

SMILES

NCC1CN(CCO1)C1=NC(=O)\C(S1)=C/C1=CC2=C(C=C1)N(CC1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F)N=C2

InChIKey

InChIKey=LNCDAAYJUJPSLK-ODCIPOBUSA-N

Formula

C25H21F6N5O2S

Mass

569.53

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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 - Benzopyrazole - Indazole - Morpholine - Oxazinane - Azole - Heteroaromatic compound - Pyrazole - Meta-thiazoline - Amino acid or derivatives - Isothiourea - N-acylimine - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Organic oxide - Carbonyl group - Alkyl fluoride - 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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