Structure Information
Structure

Compound Identification

SMILES

[Br-].COC1=CC=C(C=C1)[N+]1=C(S)NC(C)=C1C1=CSC2=C(N1)C=CC(C)=C2

InChIKey

InChIKey=DLLVMDRQFNJVBN-UHFFFAOYSA-N

Formula

C20H20BrN3OS2

Mass

462.42

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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

Benzothiazines Methoxyanilines Phenoxy compounds 2,4,5-trisubstituted imidazoles Methoxybenzenes Anisoles Aryl thioethers Alkyl aryl ethers 1,4-thiazines N-substituted imidazoles Heteroaromatic compounds Thioenol ethers Enamines Azacyclic compounds Hydrocarbon derivatives Organic bromide salts Organic zwitterions Thiols

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylimidazole - Benzothiazine - Methoxyaniline - Phenoxy compound - Aryl thioether - 2,4,5-trisubstituted-imidazole - Anisole - Methoxybenzene - Trisubstituted imidazole - Phenol ether - Alkyl aryl ether - Para-thiazine - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Thioenolether - Arylthiol - Ether - Enamine - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Organic bromide salt - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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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