Compound Identification
SMILES
CC1=NC(CN2C=CN=C2C2CCN(CC2)C(=O)CC2=CC(F)=C(C=C2)C(F)(F)F)=CS1
InChIKey
InChIKey=CSCVBYPXQXBEER-UHFFFAOYSA-N
Formula
C22H22F4N4OS
Mass
466.5
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
Phenylacetamides N-acylpiperidines Fluorobenzenes 2,4-disubstituted thiazoles N-substituted imidazoles Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Phenylacetamide - N-acyl-piperidine - 2,4-disubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - N-substituted imidazole - Piperidine - Imidazole - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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