Structure Information
Structure

Compound Identification

SMILES

CSC1=CC=C(C=C1)C1OC23CCCCCC2C(C#N)(C(=N)O3)C1(C#N)C#N

InChIKey

InChIKey=ITMBCMLNRQDMNF-UHFFFAOYSA-N

Formula

C21H20N4O2S

Mass

392.48

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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

Aryl thioethers

Alternative Parents

Thiophenol ethers Ketals Alkylarylthioethers 1,3-dioxepanes Oxanes Benzene and substituted derivatives Oxolanes Imidoesters Sulfenyl compounds Oxacyclic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl thioether - Thiophenol ether - 1,3-dioxepane - Dioxepane - Ketal - Alkylarylthioether - Monocyclic benzene moiety - Oxane - Benzenoid - Oxolane - Imido ester - Acetal - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Cyanide - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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