Structure Information
Structure

Compound Identification

SMILES

CCCSC1=NC2=C(N=N1)C1=C(C=CC(Br)=C1)N=CO2

InChIKey

InChIKey=VXIWNOIXMSGEDM-UHFFFAOYSA-N

Formula

C13H11BrN4OS

Mass

351.22

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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

Alkylarylthioethers 1,3-oxazepines Benzenoids Aryl bromides 1,2,4-triazines Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl thioether - Meta-oxazepine - Alkylarylthioether - Aryl bromide - Aryl halide - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Sulfenyl compound - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organobromide - 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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