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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
- Subclass 1-benzopyrans
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Class
Benzopyrans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
1-benzopyrans
Alternative Parents
Alkyl aryl ethers 2,5-disubstituted oxazoles Pyridinium derivatives Benzene and substituted derivatives Heteroaromatic compounds Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives Organic cations
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