Structure Information
Structure

Compound Identification

SMILES

CC(=O)NNC(=O)CSC1=NN=C(CC2=CSC(NC(=O)C3=CC=CC=C3)=N2)N1NC(=O)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=LLEPUCZLUQIMDP-UHFFFAOYSA-N

Formula

C24H21N9O6S2

Mass

595.61

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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

Benzamide - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Diacylhydrazine - Azole - Heteroaromatic compound - Thiazole - 1,2,4-triazole - Acetamide - Organic nitro compound - Carboxamide group - Carboxylic acid hydrazide - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic zwitterion - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic nitrogen compound - Organic oxide - Organic oxygen compound - 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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