Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(SC3=C2N=CN=C3NC2=CC=CC(=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=XUMLPLGHKIPVJA-UHFFFAOYSA-N
Formula
C17H9F3N4O2S
Mass
390.34
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
Thienopyrimidines 1-benzothiophenes Aniline and substituted anilines Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams Thiophenes Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Benzothiophene - 1-benzothiophene - Thienopyrimidine - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Thiophene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl halide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Amine - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Organic salt - 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