Compound Identification
SMILES
BrC1=CC=CC(\C=N\NC2=NC(=CS2)C2=CC3=CC=CC=C3OC2=O)=C1
InChIKey
InChIKey=QOKNTABTFKBFPR-UFFVCSGVSA-N
Formula
C19H12BrN3O2S
Mass
426.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
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
1-benzopyrans Pyranones and derivatives Bromobenzenes 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Lactones Oxacyclic compounds Hydrazones Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Pyranone - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Azole - Heteroaromatic compound - Thiazole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrazone - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organobromide - Organohalogen 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