Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=NN(N=N1)[C@@H]1[C@H](CC(\C=C\C2=CC=CS2)=CC1=O)C1=CC=CS1

InChIKey

InChIKey=XXWORPTXWIPYSW-GBYQGRNTSA-N

Formula

C17H13N5O3S2

Mass

399.44

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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 - Cyclohexenone - Azole - Tetrazole - Heteroaromatic compound - Thiophene - Ketone - Cyclic ketone - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - 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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