Compound Identification
SMILES
COC1=C(Cl)SC=C1C(=O)N1CCC(CC1)C1=NC=CN1CC1=CC=CC=C1C(F)(F)F
InChIKey
InChIKey=NEDKAIBRNPBAIU-UHFFFAOYSA-N
Formula
C22H21ClF3N3O2S
Mass
483.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
N-acylpiperidines Thiophene carboxamides Alkyl aryl ethers N-substituted imidazoles Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - N-acyl-piperidine - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Alkyl aryl ether - Aryl chloride - Aryl halide - Piperidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organofluoride - Organochloride - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available