Compound Identification
SMILES
COC1=C(OCC2=CC(=CC=C2)C(F)(F)F)C=CC(C=C(C#N)C2=NC3=C(C4=C(CCCC4)S3)C(=O)N2)=C1
InChIKey
InChIKey=OKLKVRPUBRLMQA-UHFFFAOYSA-N
Formula
C28H22F3N3O3S
Mass
537.56
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 Phenoxy compounds Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers Thiophenes Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Thienopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Pyrimidine - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Organic nitrogen compound - 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