Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)C(SC2=CC=C(C=C2)[N+]([O-])=O)=CC=C1

InChIKey

InChIKey=KAYHULCHENLOOO-UHFFFAOYSA-N

Formula

C13H9N3O2S

Mass

271.29

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Thioethers

Subclass

Aryl thioethers

Intermediate Tree Nodes

Not available

Direct Parent

Diarylthioethers

Alternative Parents

Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Benzonitriles Aniline and substituted anilines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Diarylthioether - Nitrobenzene - Benzonitrile - Nitroaromatic compound - Thiophenol ether - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Cyanide - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.

External Descriptors

Not available

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