Structure Information
Structure

Compound Identification

SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C(C#N)=C(C)N

InChIKey

InChIKey=JTDWPQKUOJBVKA-UHFFFAOYSA-N

Formula

C13H16N4O2S

Mass

292.36

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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

Pyrimidones Alkylarylthioethers Alpha-branched alpha,beta-unsaturated ketones Hydropyrimidines Vinylogous amides Acryloyl compounds Enones Heteroaromatic compounds Ketones Sulfenyl compounds Nitriles Azacyclic compounds Enamines Organic oxides Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl thioether - Pyrimidone - Alkylarylthioether - Hydropyrimidine - Pyrimidine - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Vinylogous amide - Ketone - Organoheterocyclic compound - Enamine - Carbonitrile - Nitrile - Sulfenyl compound - Azacycle - Organonitrogen compound - Carbonyl group - Primary aliphatic amine - Organic nitrogen compound - Cyanide - Organooxygen compound - Primary amine - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteromonocyclic 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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