Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=CN2C(CCC(=O)NC3=CC=C(Br)C=C3)=CSC2=N1

InChIKey

InChIKey=HSCDGDLHKRIEIO-UHFFFAOYSA-N

Formula

C21H18BrN3O2S

Mass

456.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Imidazoles

Intermediate Tree Nodes

Substituted imidazoles

Direct Parent

Phenylimidazoles

Alternative Parents

Anilides Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers Bromobenzenes N-substituted imidazoles Fatty amides Aryl bromides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-phenylimidazole - 4-phenylimidazole - Anilide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Halobenzene - Bromobenzene - N-substituted imidazole - Aryl bromide - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Fatty amide - Thiazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.

External Descriptors

Not available

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