Structure Information
Structure

Compound Identification

SMILES

COC1=C(Br)C=C(C=C1)C1=CSC(CCN)=N1

InChIKey

InChIKey=PKBMQVJNWJXFLV-UHFFFAOYSA-N

Formula

C12H13BrN2OS

Mass

313.21

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Anisoles

Intermediate Tree Nodes

Not available

Direct Parent

Anisoles

Alternative Parents

Phenoxy compounds Methoxybenzenes 2-arylethylamines Bromobenzenes Aralkylamines Alkyl aryl ethers 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organobromides Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenoxy compound - 2-arylethylamine - Anisole - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Aralkylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Ether - Organoheterocyclic compound - Azacycle - Organohalogen compound - Primary aliphatic amine - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

External Descriptors

Not available

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