Compound Identification
SMILES
ClC1=C(Cl)C=C(N\C=C(\C#N)C2=NC(=CS2)C2=CC3=CC=CC=C3OC2=O)C=C1
InChIKey
InChIKey=LIXJOKSHRRNWIW-RAXLEYEMSA-N
Formula
C21H11Cl2N3O2S
Mass
440.3
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 Aniline and substituted anilines Dichlorobenzenes Pyranones and derivatives 2,4-disubstituted thiazoles Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Nitriles Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - 1,2-dichlorobenzene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Halobenzene - Pyranone - Chlorobenzene - Aryl chloride - Aryl halide - Pyran - Monocyclic benzene moiety - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Enamine - Carbonitrile - Nitrile - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organochloride - Cyanide - Organic oxide - 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