Structure Information
Structure

Compound Identification

SMILES

CC1=CC(SC(=O)C2=CC(=CC=C2)[N+]([O-])=O)=NC(=S)N1

InChIKey

InChIKey=KEOCCBSHSLLYEP-UHFFFAOYSA-N

Formula

C12H9N3O3S2

Mass

307.34

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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

Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Organic nitro compound - Thiocarboxylic acid ester - Carbothioic s-ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - 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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