Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C1=NN=C(S1)N1C(=O)CSC11SCCS1

InChIKey

InChIKey=XEKWYAIPAWUDQK-UHFFFAOYSA-N

Formula

C13H10N4O3S4

Mass

398.49

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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 heteropolycyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Azole - Dithiolane - Tertiary carboxylic acid amide - Thiadiazole - Thiazolidine - 1,3-dithiolane - Heteroaromatic compound - Lactam - Organic nitro compound - Carboxamide group - C-nitro compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Thioether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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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