Compound Identification
SMILES
CN1C(=O)SC(=C1C)C1=NC(NC2=CC(Br)=CC(=C2)C(F)(F)F)=NC=C1
InChIKey
InChIKey=FKLFLPDMBQOSQR-UHFFFAOYSA-N
Formula
C16H12BrF3N4OS
Mass
445.26
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 Bromobenzenes Aminopyrimidines and derivatives Aryl bromides Thiazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyrimidine - Thiazole - Heteroaromatic compound - Azole - Organoheterocyclic compound - Secondary amine - Azacycle - Amine - Organofluoride - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen 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