Compound Identification
SMILES
OC1=C(Br)C=C(C=C(SC2=NC3=CC=CC=C3S2)C#N)C=C1
InChIKey
InChIKey=ZTNXVWQFBIQTFO-UHFFFAOYSA-N
Formula
C16H9BrN2OS2
Mass
389.29
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-bromophenols Aryl thioethers Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Thiazoles Heteroaromatic compounds Thioenol ethers Sulfenyl compounds Nitriles Azacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aryl thioether - 2-halophenol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Thioenolether - Azacycle - Sulfenyl compound - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Organohalogen compound - Organobromide - 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