Compound Identification
SMILES
[Na+].CC1=C2C([N-]N(C3=NC4=CC=CC=C4S3)C2=O)=CC(=O)N1CC1=CN=CC=C1
InChIKey
InChIKey=YRMXOFXZIOTGPS-UHFFFAOYSA-M
Formula
C20H14N5NaO2S
Mass
411.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
Pyridinones Methylpyridines Pyrazolones Benzenoids Vinylogous amides Thiazoles Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic sodium salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Methylpyridine - Pyridinone - Pyrazolinone - Pyridine - Benzenoid - Azole - Pyrazole - Thiazole - Heteroaromatic compound - Vinylogous amide - Lactam - Organic alkali metal salt - Azacycle - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic salt - Organonitrogen compound - Organic sodium salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available