Structure Information
Structure

Compound Identification

SMILES

CSC1=NC=C(C=CC(=O)NNC2=CC=C(C=C2)[N+]([O-])=O)C=N1

InChIKey

InChIKey=KDMGGIIELONCNE-UHFFFAOYSA-N

Formula

C14H13N5O3S

Mass

331.35

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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 - Phenylhydrazine - Alkylarylthioether - Pyrimidine - Heteroaromatic compound - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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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