Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=C(O)S\C(=C/C2=CC=C(C=C2)C#N)C1=O

InChIKey

InChIKey=KNXQDBLTIYINIQ-WDZFZDKYSA-N

Formula

C14H9NO3S

Mass

271.29

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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

Benzonitrile - Vinylogous thioester - 2,3-dihydrothiophene - Vinylogous acid - Ketene acetal or derivatives - Ketone - Thioenolether - Cyclic ketone - Nitrile - Carbonitrile - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - 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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