Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)\C(=C2/C=CC(=O)C(Cl)=C2)C(C#N)=C(N1)SC1=CC=CC=C1F

InChIKey

InChIKey=DNHRSOJXRKLMCQ-YVLHZVERSA-N

Formula

C19H10ClFN4OS

Mass

396.82

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

P-quinomethanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl thioether - P-quinomethane - Dihydropyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Ketene acetal or derivatives - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Carbonitrile - Nitrile - Sulfenyl compound - Vinyl chloride - Vinyl halide - Organic oxide - Cyanide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organosulfur compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.

External Descriptors

Not available

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