Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC2=CC=CC=C2C#N)C(I)=CC(C=C2C(=N)N3N=C(SC3=NC2=O)C(C)C)=C1

InChIKey

InChIKey=JQZABSHOOVKEAA-UHFFFAOYSA-N

Formula

C24H20IN5O3S

Mass

585.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxy compound - Anisole - Phenol ether - Benzonitrile - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Halobenzene - Iodobenzene - Aryl halide - Pyrimidine - Imidolactam - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Aryl iodide - Thiadiazoline - N-acylimine - Amidine - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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