Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N=C(SC(NC1=C(C#N)C3=C(CCC3)S1)C1=CC=C(Br)C=C1)S2
InChIKey
InChIKey=MTBDYRKSLNJFJG-UHFFFAOYSA-N
Formula
C24H20BrN3OS3
Mass
542.53
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
Phenol ethers Bromobenzenes Alkylarylthioethers Alkyl aryl ethers Aryl bromides Thiophenes Thiazoles Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aryl thioether - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazole - Heteroaromatic compound - Thiophene - Azole - Thioether - Azacycle - Sulfenyl compound - Ether - Nitrile - Carbonitrile - Organosulfur compound - Hydrocarbon derivative - Organohalogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - 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