Structure Information
Structure

Compound Identification

SMILES

NC1=CC(N)=NC(SCC(=O)NC2=NC=C(S2)S(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)=N1

InChIKey

InChIKey=YUGFPACWSALCPH-UHFFFAOYSA-N

Formula

C15H13N7O5S3

Mass

467.49

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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 heteromonocyclic compounds

Substituents

Benzenesulfonyl group - Nitrobenzene - Aryl thioether - Nitroaromatic compound - N-arylamide - 2,5-disubstituted 1,3-thiazole - Aminopyrimidine - Alkylarylthioether - Pyrimidine - Imidolactam - Heteroaromatic compound - Azole - Thiazole - Sulfone - Sulfonyl - C-nitro compound - Amino acid or derivatives - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organic oxide - Organic salt - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Amine - 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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