Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC=C1CSC1=NC2=C(CCC2)C(=O)N1CC#N

InChIKey

InChIKey=KODVQQNQDUIOFR-UHFFFAOYSA-N

Formula

C16H14ClN3OS

Mass

331.82

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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 Chlorobenzenes Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Lactams Sulfenyl compounds Nitriles Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl thioether - Chlorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - 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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