Compound Identification
SMILES
CC1=CC(=O)N2[C@@H](N=C(NC3=CC=CC(=C3)C(F)(F)F)N=C2N1)C1=CC=CS1
InChIKey
InChIKey=VLZJBAUOOZUQAI-OAHLLOKOSA-N
Formula
C18H14F3N5OS
Mass
405.4
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
Aniline and substituted anilines Aminotriazines 1,3,5-triazines Hydropyrimidines Vinylogous amides Thiophenes Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids and derivatives Enamines Carbonyl compounds Organofluorides Organic oxides Alkyl fluorides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Aniline or substituted anilines - Aminotriazine - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Triazine - 1,3,5-triazine - Thiophene - Vinylogous amide - Heteroaromatic compound - Guanidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organoheterocyclic compound - Carboxylic acid derivative - Enamine - Alkyl halide - Organofluoride - Organohalogen compound - Imine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - 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