Structure Information
Structure

Compound Identification

SMILES

OC(CN1CCSC1=N)C1=CC(=CC(Br)=C1)[N+]([O-])=O

InChIKey

InChIKey=YBXIIFNDKZZTTI-UHFFFAOYSA-N

Formula

C11H12BrN3O3S

Mass

346.2

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Thiazolidine - Isothiourea - C-nitro compound - Secondary alcohol - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organobromide - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Alcohol - Imine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic alcohol - Organic salt - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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