Compound Identification
SMILES
CCN(CC)C1=CC=C(C=C1)C1=CSC(=N1)C1CCN(CC1)C(=O)CC1=C(C=CC(F)=C1)C(F)(F)F
InChIKey
InChIKey=RBAWVCOIOQYSJB-UHFFFAOYSA-N
Formula
C27H29F4N3OS
Mass
519.6
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
Phenylacetamides N-acylpiperidines Aniline and substituted anilines Dialkylarylamines 2,4-disubstituted thiazoles Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Phenylacetamide - N-acyl-piperidine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2,4-disubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Piperidine - Heteroaromatic compound - Azole - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organofluoride - Organohalogen 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