Structure Information
Structure

Compound Identification

SMILES

CC(=O)SC1=CC=C(C=C1)C#CC1=CN=C(N=C1)C#CC1=CC=CC=C1

InChIKey

InChIKey=UTHXFJLJTOPELP-UHFFFAOYSA-N

Formula

C22H14N2OS

Mass

354.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Thiophenol esters

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thiophenol esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Thiophenol ester - Aryl thioether - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Carbothioic s-ester - Thiocarboxylic acid ester - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as thiophenol esters. These are thioester derivatives of thiophenols. Thiophenol is a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.

External Descriptors

Not available

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