Compound Identification
SMILES
CCC1=CC=C(N\C(C)=C2\C(=O)N(N=C2C(F)(F)F)C2=NC3=CC=CC=C3S2)C=C1
InChIKey
InChIKey=NBHFOUJVZWLSCB-SFQUDFHCSA-N
Formula
C21H17F3N4OS
Mass
430.45
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 Pyrazolones Vinylogous amides Thiazoles Heteroaromatic compounds Enamines Carboxylic acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Pyrazolinone - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Pyrazoline - Azacycle - Carboxylic acid derivative - Enamine - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Alkyl halide - 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