Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(NC=C(C#N)C2=NC(=CS2)C2=CC3=C(OC2=O)C=CC(Br)=C3)=C1

InChIKey

InChIKey=CBBMGVREUKZZLM-UHFFFAOYSA-N

Formula

C22H14BrN3O3S

Mass

480.34

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Benzopyran - 1-benzopyran - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Pyranone - Aryl bromide - Benzenoid - Aryl halide - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Secondary amine - Enamine - Ether - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Cyanide - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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