Structure Information
Structure

Compound Identification

SMILES

O[C@H]1[C@H](SC2=CC=C(C=C2)C#N)SC[C@@H](N=[N+]=[N-])[C@@H]1O

InChIKey

InChIKey=UFFRSBMXUUZZHB-KXNHARMFSA-N

Formula

C12H12N4O2S2

Mass

308.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzonitrile - Aryl thioether - Thiophenol ether - Alkylarylthioether - Thiane - Thioacetal - Azo compound - Azo imide - 1,2-diol - Secondary alcohol - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Carbonitrile - Thioether - Nitrile - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Cyanide - Organic salt - Alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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