Structure Information
Structure

Compound Identification

SMILES

CCCC1=NN=C(SCC2=CC=C(Cl)C=C2)N1NC=C1C=C(Br)C=C(OC)C1=O

InChIKey

InChIKey=XVYRRYCVEMVFJC-UHFFFAOYSA-N

Formula

C20H20BrClN4O2S

Mass

495.82

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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

O-quinomethanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl thioether - O-quinomethane - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - 1,2,4-triazole - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Thioether - Sulfenyl compound - Vinyl bromide - Vinyl halide - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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