Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=NN(CC(=O)N2CCSCC2)C=C1

InChIKey

InChIKey=UWDVQWFKZDKFAG-UHFFFAOYSA-N

Formula

C9H12N4O3S

Mass

256.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic 1,3-dipolar compounds

Class

Allyl-type 1,3-dipolar organic compounds

Subclass

Organic nitro compounds

Intermediate Tree Nodes

C-nitro compounds

Direct Parent

Nitroaromatic compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - Imidolactam - 1,4-thiazinane - Azole - Heteroaromatic compound - Pyrazole - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Dialkylthioether - Propargyl-type 1,3-dipolar organic compound - Thioether - Organic nitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.

External Descriptors

Not available

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