Structure Information
Structure

Compound Identification

SMILES

CC(SC1=NN=C(CNC2=CC=CC=C2)N1CC=C)C(=O)NN=CC1=CC(Br)=CC=C1

InChIKey

InChIKey=LXKPSNMSUYKWHI-UHFFFAOYSA-N

Formula

C22H23BrN6OS

Mass

499.43

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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

Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Bromobenzenes Alkylarylthioethers Aryl bromides Triazoles Heteroaromatic compounds Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl thioether - Phenylalkylamine - Aniline or substituted anilines - Aralkylamine - Bromobenzene - Alkylarylthioether - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Secondary amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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