Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1=CSC(=N1)C(=N\NC1=CC=CC(=C1)C(F)(F)F)\C#N
InChIKey
InChIKey=AGDMTWUTBMHOBF-MFKUBSTISA-N
Formula
C18H10F3N5O2S
Mass
417.37
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
Nitrobenzenes Phenylhydrazines Nitroaromatic compounds 2,4-disubstituted thiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrazones Nitriles Organic oxoazanium compounds Hydrocarbon derivatives Organofluorides Organic zwitterions Organic salts Organic oxides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - 2,4-disubstituted 1,3-thiazole - Azole - Thiazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Hydrazone - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organofluoride - Organic oxygen compound - Organohalogen compound - Cyanide - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Alkyl fluoride - Alkyl halide - Organic salt - Organic nitrogen 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