Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CN(C[C@@H](O)COC2=CC3=C(SC(C)=N3)C=C2)CCN1CC1=NOC(C1)C1=CC=C(C=C1)C(F)(F)F

InChIKey

InChIKey=QJYIWIVYIPKQGM-CIZNCGTPSA-N

Formula

C27H31F3N4O3S

Mass

548.63

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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 - 1,3-benzothiazole - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - Piperazine - Azole - Heteroaromatic compound - Isoxazoline - Thiazole - 1,2-aminoalcohol - Oxime ether - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Azacycle - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - 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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