Structure Information
Structure

Compound Identification

SMILES

NC1=NC(SCC2=CC=C(C=C2)[N+]([O-])=O)=NN1

InChIKey

InChIKey=DEJVQZGMBZKGIR-UHFFFAOYSA-N

Formula

C9H9N5O2S

Mass

251.26

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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 - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Azole - 1,2,4-triazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Thioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Amine - Organic zwitterion - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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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