Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(=O)O1)C1=CC=C(C=C1)C1=NN2C(C)=NN=C2SC(C1)C1=CC=C(Br)C=C1

InChIKey

InChIKey=QVXGXAAVIZEUDT-UHFFFAOYSA-N

Formula

C21H17BrN6O2S

Mass

497.37

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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 heteropolycyclic compounds

Substituents

Aryl thioether - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Oxadiazole - 1,2,4-triazole - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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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