Compound Identification
SMILES
FC1=C(Cl)C=C(C=C1)C1=CC=C(O1)C=C(C#N)C(=O)NC1=NC2=CC=CC=C2S1
InChIKey
InChIKey=VQJCOTDQUHJIPT-UHFFFAOYSA-N
Formula
C21H11ClFN3O2S
Mass
423.85
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
N-arylamides Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Thiazoles Heteroaromatic compounds Furans Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - N-arylamide - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Furan - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organofluoride - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organochloride - 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