Compound Identification
SMILES
CCN1\C(SC=C1C1=CC2=C(OC1=O)C=CC(Br)=C2)=N/N\C=C1/C=C(Br)C=CC1=O
InChIKey
InChIKey=FVYWWVMZJHKBMV-BWEWZUIQSA-N
Formula
C21H15Br2N3O3S
Mass
549.24
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 O-quinomethanes Pyranones and derivatives Aryl bromides Benzenoids Vinylogous amides Thiazoles Heteroaromatic compounds Lactones Vinyl bromides Hydrazones Bromoalkenes Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organobromides Organopnictogen compounds Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - O-quinomethane - Quinomethane - Pyranone - Aryl bromide - Aryl halide - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Ketone - Lactone - Cyclic ketone - Organoheterocyclic compound - Haloalkene - Bromoalkene - Azacycle - Vinyl halide - Vinyl bromide - Hydrazone - Oxacycle - Organic nitrogen compound - Organohalogen compound - Aldehyde - Organobromide - Hydrocarbon derivative - Carbonyl group - 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