Compound Identification
SMILES
CC1=NN=C(SCC2=CC(=O)OC3=C2C=CC(C)=C3C)N1C1=CC=CC=C1C
InChIKey
InChIKey=LDGFILQGBUPCEC-UHFFFAOYSA-N
Formula
C22H21N3O2S
Mass
391.49
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 Toluenes Pyranones and derivatives Alkylarylthioethers Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltriazole - Phenyl-1,2,4-triazole - Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - Toluene - Pyranone - Alkylarylthioether - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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