Compound Identification
SMILES
COC1=CC(OC)=C(C=C1)C1=NN(C2=NC(=CS2)C2=CC=C(C=C2)C(F)(F)F)C(O)(C1)C(F)(F)F
InChIKey
InChIKey=MCHYKHFQQQKADY-UHFFFAOYSA-N
Formula
C22H17F6N3O3S
Mass
517.45
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
Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers 2,4-disubstituted thiazoles Pyrazolines Heteroaromatic compounds Fluorohydrins Hydrazones Azacyclic compounds Alkanolamines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Dimethoxybenzene - M-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Azole - Heteroaromatic compound - Pyrazoline - Thiazole - Fluorohydrin - Halohydrin - Alkanolamine - Azacycle - Organoheterocyclic compound - Ether - Hydrazone - Organooxygen compound - Organohalogen compound - Organofluoride - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxygen compound - Alkyl fluoride - Organonitrogen 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