Compound Identification
SMILES
CC1=C(NC2=CC=C(Br)C=C2)C(=O)N(N=C1C(F)(F)F)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=UYQJXPOTLHQCOB-UHFFFAOYSA-N
Formula
C19H12BrF3N4OS
Mass
481.29
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
Aniline and substituted anilines Aminopyridazines Pyridazinones Bromobenzenes Primary aromatic amines Aryl bromides Thiazoles Heteroaromatic compounds Lactams Secondary amines Azacyclic compounds Organobromides Alkyl fluorides Organofluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aniline or substituted anilines - Aminopyridazine - Bromobenzene - Halobenzene - Pyridazinone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Primary aromatic amine - Pyridazine - Azole - Heteroaromatic compound - Thiazole - Lactam - Azacycle - Secondary amine - Organofluoride - Organobromide - Organohalogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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