Compound Identification
SMILES
CC1=C2N=C(NC3=NC=NC(NC4=CC(=C(Cl)C=C4)C(F)(F)F)=C3[N+]([O-])=O)SC2=CC=C1
InChIKey
InChIKey=AHEALWKTBATPCF-UHFFFAOYSA-N
Formula
C19H12ClF3N6O2S
Mass
480.85
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
Benzothiazoles Aniline and substituted anilines Nitroaromatic compounds Aminopyrimidines and derivatives Chlorobenzenes 2-amino-1,3-thiazoles Aryl chlorides Imidolactams Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Alkyl fluorides Organochlorides Organic salts Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - 1,3-benzothiazole - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrimidine - Imidolactam - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Amine - Alkyl fluoride - Alkyl halide - Organic zwitterion - Aromatic heteropolycyclic 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