Compound Identification
SMILES
CC1=CC(=CC=C1)N1C(NC(=O)C(C#N)=C1S)C1=CC=C(O1)C1=CC=CC=C1F
InChIKey
InChIKey=FKWFRRHWRGCNBO-UHFFFAOYSA-N
Formula
C22H16FN3O2S
Mass
405.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Fluorobenzenes
-
Subclass
Halobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Fluorobenzenes
Alternative Parents
Toluenes Aryl fluorides Hydropyrimidines Vinylogous amides Furans Heteroaromatic compounds Secondary carboxylic acid amides Ketene acetals Lactams Oxacyclic compounds Alkylthiols Azacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Fluorobenzene - Toluene - Aryl fluoride - Aryl halide - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Furan - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Secondary carboxylic acid amide - Lactam - Alkylthiol - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
External Descriptors
Not available