Compound Identification
SMILES
C\C(=N/NC1=NC(=CS1)C1=CC2=CC(Br)=CC(Br)=C2OC1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=FBMJPHKMOFGFEI-KIBLKLHPSA-N
Formula
C20H12Br2ClN3O2S
Mass
553.65
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 2,4-disubstituted thiazoles Chlorobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Hydrazones Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - 2,4-disubstituted 1,3-thiazole - Halobenzene - Pyranone - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Pyran - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrazone - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organohalogen compound - Organobromide - 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