Structure Information
Structure

Compound Identification

SMILES

OC1=C2NC(NC3=CC=CC=C3Br)=NS(=O)(=O)C2=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=YKEVWJLHADDVBF-UHFFFAOYSA-N

Formula

C13H9BrN4O5S

Mass

413.2

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thiadiazines

Subclass

Benzothiadiazines

Intermediate Tree Nodes

Not available

Direct Parent

1,2,4-benzothiadiazine-1,1-dioxides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,2,4-benzothiadiazine-1,1-dioxide - Nitroaromatic compound - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Guanidine - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organobromide - Organic nitrogen compound - Organohalogen compound - Organic salt - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,2,4-benzothiadiazine-1,1-dioxides. These are aromatic heterocyclic compounds containing a 1,2,4-benzothiadiazine ring system with two S=O bonds at the 1-position.

External Descriptors

Not available

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