Compound Identification
SMILES
CSC1=C(C=CC=C1NC1=NC=C(C(=O)NCC2CCOCC2)C(=N1)C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=IJIJRQJVNRZSBI-UHFFFAOYSA-N
Formula
C20H20F6N4O2S
Mass
494.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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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
Pyrimidinecarboxamides Aniline and substituted anilines Thiophenol ethers Alkylarylthioethers Aminopyrimidines and derivatives Oxanes Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Secondary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Sulfenyl compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Pyrimidinecarboxamide - Pyrimidine-5-carboxylic acid or derivatives - Aryl thioether - Aniline or substituted anilines - Thiophenol ether - Aminopyrimidine - Alkylarylthioether - Oxane - Pyrimidine - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Sulfenyl compound - Thioether - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Alkyl fluoride - Alkyl halide - 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