Compound Identification
SMILES
BrC1=CC(Br)=C2OC(=O)C(=CC2=C1)C1=CSC2=NCCN12
InChIKey
InChIKey=LDCLLPBYRUWZHR-UHFFFAOYSA-N
Formula
C14H8Br2N2O2S
Mass
428.1
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 Aryl bromides Benzenoids Thiazolines Azoles Heteroaromatic compounds Imidazolines Isothioureas Lactones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Carboximidamides Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyran - Azole - Heteroaromatic compound - 2-imidazoline - Meta-thiazoline - Isothiourea - Lactone - Oxacycle - Enamine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - 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