Compound Identification
SMILES
CCN1C2=CC=CC=C2C2=C1N=C(SCC1=CC(=O)OC3=C1C=CC(C)=C3)N=N2
InChIKey
InChIKey=VYLZRKVDFZBGQN-UHFFFAOYSA-N
Formula
C22H18N4O2S
Mass
402.47
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 N-alkylindoles Indoles Alkylarylthioethers Pyranones and derivatives 1,2,4-triazines Substituted pyrroles Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - N-alkylindole - 1-benzopyran - Indole - Indole or derivatives - Aryl thioether - Alkylarylthioether - Pyranone - Pyran - 1,2,4-triazine - Triazine - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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