Compound Identification
SMILES
[Na+].CC1=C2C(=O)N(N=C2C=C([O-])N1CC1=CC=CC=C1)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=FKBRBFUSDADDDS-UHFFFAOYSA-M
Formula
C21H15N4NaO2S
Mass
410.43
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
Pyridinolates Methylpyridines Pyrazolones Benzene and substituted derivatives 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 - Pyridinolate - Methylpyridine - Monocyclic benzene moiety - Pyrazolinone - Pyridine - Benzenoid - Azole - Pyrazole - Thiazole - Heteroaromatic compound - Vinylogous amide - Lactam - Organic alkali metal salt - Azacycle - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic salt - 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