Compound Identification
SMILES
[O-]C1=NC(S)=C(C#N)C(C1[N+]1=CC=CC=C1)C1=CC=CC=C1C(F)(F)F
InChIKey
InChIKey=YDQDETNCOHNREE-UHFFFAOYSA-N
Formula
C18H12F3N3OS
Mass
375.37
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
Dihydropyridines Pyridinium derivatives Heteroaromatic compounds Cyclic carboximidic acids Ketene acetals Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Alkylthiols Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Dihydropyridine - Hydropyridine - Pyridine - Pyridinium - Heteroaromatic compound - Cyclic carboximidic acid - Ketene acetal or derivatives - Alkylthiol - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organic salt - Organic oxygen compound - Cyanide - 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