Structure Information
Structure

Compound Identification

SMILES

CCC1CN=C(N=C1)N(CCC1=CSC(SC(C)(C)C(O)=O)=N1)CC1=CC=C(Br)C=C1

InChIKey

InChIKey=WRGHWJWSHNVNJK-UHFFFAOYSA-N

Formula

C22H27BrN4O2S2

Mass

523.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Thioethers

Subclass

Aryl thioethers

Intermediate Tree Nodes

Not available

Direct Parent

Aryl thioethers

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzylamine - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Aminopyrimidine - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - 5,6-dihydropyrimidine - Benzenoid - Aryl bromide - Azole - Thiazole - Heteroaromatic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Sulfenyl compound - Carboximidamide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.

External Descriptors

Not available

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