Compound Identification
SMILES
CN(C1CCN(C)CC1)C1=CC(Cl)=NC(SCC(=O)NCC2=CC(=CC=C2)C(F)(F)F)=N1
InChIKey
InChIKey=ZYPWTZUHZQIMQN-UHFFFAOYSA-N
Formula
C21H25ClF3N5OS
Mass
487.97
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
Dialkylarylamines Alkylarylthioethers Aminopyrimidines and derivatives Halopyrimidines Aryl chlorides Piperidines Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Alkyl fluorides Organochlorides Organofluorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Aryl thioether - Dialkylarylamine - Aminopyrimidine - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Piperidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organosulfur compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organonitrogen compound - Alkyl halide - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Alkyl fluoride - Organooxygen compound - Organic nitrogen 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