Structure Information
Structure

Compound Identification

SMILES

N[C@H](CO)C[C@@H](SC1=C(C=C(Cl)C=C1)C#N)C1=CN=CS1

InChIKey

InChIKey=KLEJNUKHFIABHF-WCQYABFASA-N

Formula

C14H14ClN3OS2

Mass

339.86

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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

Aryl thioether - Benzonitrile - Thiophenol ether - Aralkylamine - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carbonitrile - Nitrile - Thioether - Organochloride - Organohalogen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Primary amine - Cyanide - 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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