Compound Identification
SMILES
CC(NNC(=O)C1=CC=CC=C1)=C1C(=O)N(N=C1C(F)(F)F)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=JRAICQKMULNALI-UHFFFAOYSA-N
Formula
C20H14F3N5O2S
Mass
445.42
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
Benzoic acids and derivatives Benzoyl derivatives Pyrazolones Vinylogous amides Thiazoles Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Azole - Pyrazoline - Heteroaromatic compound - Thiazole - Vinylogous amide - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen 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