Structure Information
Structure

Compound Identification

SMILES

FC1=CC=CC(F)=C1C(=O)NC1=C(C#N)C2=C(CN(CC3=CC=CC=C3)CC2)S1

InChIKey

InChIKey=LCKJDISZPYPHOD-UHFFFAOYSA-N

Formula

C22H17F2N3OS

Mass

409.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Thienopyridine - Benzoyl - Benzylamine - Phenylmethylamine - Fluorobenzene - Aralkylamine - Halobenzene - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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