Compound Identification
SMILES
CC1=CC2=C(OC(=O)C(=C2)C2=NN3C(SC2)=NN=C3C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=AWBRCYCMYPSQDC-UHFFFAOYSA-N
Formula
C20H13ClN4O2S
Mass
408.86
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
Phenyl-1,2,4-triazoles 1-benzopyrans Pyranones and derivatives Alkylarylthioethers Chlorobenzenes Aryl chlorides 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 - Phenyl-1,2,4-triazole - Phenyltriazole - Benzopyran - 1-benzopyran - Aryl thioether - Chlorobenzene - Halobenzene - Pyranone - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Thioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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