Compound Identification
SMILES
NC1=C(SC(NC2=CC(F)=CC=C2)=C1C#N)C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=KHEJJAZEIRGHEZ-UHFFFAOYSA-N
Formula
C18H11BrFN3OS
Mass
416.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Aryl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Aryl-phenylketones
Alternative Parents
3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Bromobenzenes Fluorobenzenes N-arylated-2-aminothiophenes Aryl bromides Aryl fluorides Heteroaromatic compounds Vinylogous amides Nitriles Secondary amines Hydrocarbon derivatives Primary amines Organic oxides Organobromides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - 3,4,5-trisubstituted-2-aminothiophene - Benzoyl - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - Bromobenzene - Fluorobenzene - Halobenzene - N-arylated-2-aminothiophene - Aminothiophene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 2-aminothiophene - Vinylogous amide - Thiophene - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Nitrile - Carbonitrile - Primary amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Amine - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available