Compound Identification
SMILES
ClC1=CC=CC=C1CC1=CN2C=C(N=C2S1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=QWHGXRYFWMCYGW-UHFFFAOYSA-N
Formula
C21H13ClN2O2S
Mass
392.86
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 Chlorobenzenes Aryl chlorides N-substituted imidazoles Thiazoles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Pyranone - Halobenzene - Chlorobenzene - Aryl halide - Benzenoid - Aryl chloride - Pyran - N-substituted imidazole - Monocyclic benzene moiety - Imidazole - Thiazole - Heteroaromatic compound - Azole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organochloride - 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