Compound Identification
SMILES
NC(N)=NS(=O)(=O)C1=CC=C(NC=C(C#N)C2=NC(=CS2)C2=CC3=CC=CC=C3OC2=O)C=C1
InChIKey
InChIKey=DHYJUSDAPNQIII-UHFFFAOYSA-N
Formula
C22H16N6O4S2
Mass
492.53
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 Benzenesulfonamides Benzenesulfonyl compounds Aniline and substituted anilines 2,4-disubstituted thiazoles Pyranones and derivatives Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Lactones Guanidines Oxacyclic compounds Enamines Secondary amines Azacyclic compounds Nitriles Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzenesulfonamide - Benzopyran - 1-benzopyran - Benzenesulfonyl group - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Pyranone - Pyran - Monocyclic benzene moiety - Benzenoid - Azole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Guanidine - Lactone - Enamine - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - 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