Structure Information
Structure

Compound Identification

SMILES

[Br-].S=C=NC1=CC=CC(C[N+]2=CC=C(C=C2)C2=CN=C(O2)C2=CC3=C(OCCC3)C=C2)=C1

InChIKey

InChIKey=ZLHULGGTEHEJGJ-UHFFFAOYSA-M

Formula

C25H20BrN3O2S

Mass

506.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrans

Subclass

1-benzopyrans

Intermediate Tree Nodes

Not available

Direct Parent

1-benzopyrans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzopyran - 2,5-disubstituted 1,3-oxazole - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Isothiocyanate - Organic 1,3-dipolar compound - Azacycle - Ether - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organic bromide salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.

External Descriptors

Not available

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