Compound Identification
SMILES
Cl.CCN(CC1CCCC1)C1=C(CN(CC2=CC(=CC(=C2)C#N)C(F)(F)F)C2=NC(C)=CS2)C=C2CCCC2=C1
InChIKey
InChIKey=RFMMESOZSDOGDF-UHFFFAOYSA-N
Formula
C31H36ClF3N4S
Mass
589.16
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
Indanes Dialkylarylamines Benzylamines Benzonitriles 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Indane - Benzonitrile - Benzylamine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - Tertiary amine - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Cyanide - Amine - Alkyl halide - 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