Compound Identification
SMILES
OC1=CC(=O)\C(=C\NC2=CC3=C(SC(=N3)C3=CC=CC=C3)C=C2)C=C1Br
InChIKey
InChIKey=QDTXYCCXTZOQKR-ACCUITESSA-N
Formula
C20H13BrN2O2S
Mass
425.3
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
O-quinomethanes Benzene and substituted derivatives Vinylogous amides Vinylogous acids Thiazoles Heteroaromatic compounds Vinyl bromides Enols Enamines Bromoalkenes Azacyclic compounds Allylamines Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - O-quinomethane - Quinomethane - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Vinylogous acid - Ketone - Cyclic ketone - Enamine - Enol - Allylamine - Azacycle - Bromoalkene - Vinyl bromide - Vinyl halide - Haloalkene - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Amine - 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