Compound Identification
SMILES
CC1=CC(NC=C(C#N)C2=NC(=CS2)C2=CC3=CC=CC=C3OC2=O)=CC(C)=C1
InChIKey
InChIKey=LZWBMJHOVVQBKF-UHFFFAOYSA-N
Formula
C23H17N3O2S
Mass
399.47
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 m-Xylenes Aniline and substituted anilines Pyranones and derivatives 2,4-disubstituted thiazoles Heteroaromatic compounds Lactones Secondary amines Oxacyclic compounds Azacyclic compounds Enamines Nitriles Organooxygen compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - M-xylene - Xylene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactone - Azacycle - Secondary amine - Oxacycle - Organoheterocyclic compound - Enamine - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - 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