Compound Identification
SMILES
O=C1OC2=CC=CC=C2C=C1C1=CSC(=N1)C(=CNC1=CC2=CC=CC=C2C=C1)C#N
InChIKey
InChIKey=AATRYOUTOXHIRO-UHFFFAOYSA-N
Formula
C25H15N3O2S
Mass
421.47
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
Naphthalenes 1-benzopyrans Pyranones and derivatives 2,4-disubstituted thiazoles Heteroaromatic compounds Lactones Secondary amines Oxacyclic compounds Nitriles Enamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Naphthalene - 1-benzopyran - 2,4-disubstituted 1,3-thiazole - Pyranone - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactone - Azacycle - Secondary amine - Oxacycle - Organoheterocyclic compound - Enamine - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - 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