Structure Information
Structure

Compound Identification

SMILES

[O-]C1=NC(S)=C(C#N)C(C1)C1=CC=CC=C1[N+]([O-])=O

InChIKey

InChIKey=NJMGOOIYUKNCMU-UHFFFAOYSA-M

Formula

C12H8N3O3S

Mass

274.27

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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

Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Hydropyridine - Cyclic carboximidic acid - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Alkylthiol - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Cyanide - Organic cation - 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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