Compound Identification
SMILES
CC1=CC=CC2=CC(\C=C(/C#N)C3=NC(=CS3)C3=CC4=CC=CC=C4OC3=O)=C(Cl)N=C12
InChIKey
InChIKey=CEVDINOUZBGCRB-VCHYOVAHSA-N
Formula
C25H14ClN3O2S
Mass
455.92
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
Chloroquinolines 1-benzopyrans Pyranones and derivatives 2,4-disubstituted thiazoles 2-halopyridines Aryl chlorides Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Coumarin - Chloroquinoline - Benzopyran - Quinoline - 1-benzopyran - 2,4-disubstituted 1,3-thiazole - 2-halopyridine - Pyranone - Aryl chloride - Aryl halide - Pyran - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactone - Oxacycle - Organoheterocyclic compound - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Cyanide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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