Compound Identification
SMILES
CC1=NC(NC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)=C(CCl)C(=C1)N1C=CC(=N1)C1=NC=CS1
InChIKey
InChIKey=GXLHRPYIYQJGFK-UHFFFAOYSA-N
Formula
C21H14ClF6N5S
Mass
517.88
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
Aniline and substituted anilines Methylpyridines Aminopyridines and derivatives Imidolactams Thiazoles Pyrazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Aniline or substituted anilines - Aminopyridine - Methylpyridine - Pyridine - Imidolactam - Azole - Pyrazole - Thiazole - Heteroaromatic compound - Secondary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl chloride - Organic nitrogen compound - Alkyl halide - Amine - 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