Compound Identification
SMILES
CC(C)C1=C(C)C=C2OC(=O)C=C(CSC3=NN=C(O3)C3=CC=CC=C3Br)C2=C1
InChIKey
InChIKey=HBLYSXWYJOATKG-UHFFFAOYSA-N
Formula
C22H19BrN2O3S
Mass
471.37
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 Cumenes Pyranones and derivatives Alkylarylthioethers Bromobenzenes Aryl bromides 1,3,4-oxadiazoles Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Cumene - Aryl thioether - Bromobenzene - Halobenzene - Pyranone - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Lactone - Thioether - Sulfenyl compound - Organoheterocyclic compound - Oxacycle - Azacycle - Organosulfur compound - Organohalogen compound - Organobromide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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