Compound Identification
SMILES
CC1=NC2=NC(CCCSCC3=CC=C(CN4CCOCC4)O3)=NN2C(NC2=CC=C(C=C2)C(F)(F)F)=C1
InChIKey
InChIKey=SQKBZIDRPQACMP-UHFFFAOYSA-N
Formula
C26H29F3N6O2S
Mass
546.61
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
Triazolopyrimidines Aniline and substituted anilines Aminopyrimidines and derivatives Aralkylamines Morpholines Triazoles Furans Heteroaromatic compounds Trialkylamines Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkylthioethers Dialkyl ethers Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Triazolopyrimidine - Aniline or substituted anilines - Aminopyrimidine - Aralkylamine - Morpholine - Oxazinane - Pyrimidine - Azole - Furan - Heteroaromatic compound - Triazole - 1,2,4-triazole - Tertiary amine - Tertiary aliphatic amine - Sulfenyl compound - Thioether - Dialkylthioether - Organoheterocyclic compound - Azacycle - Dialkyl ether - Ether - Oxacycle - Alkyl halide - Organofluoride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl fluoride - 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