Compound Identification
SMILES
CC(O)C1=C(C)N(C(=S)NC1C1=CC=C(C=C1)C#N)C1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=JSZCGUUKNPEYRD-UHFFFAOYSA-N
Formula
C21H18F3N3OS
Mass
417.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylthioureas
Alternative Parents
Trifluoromethylbenzenes Benzonitriles Pyrimidinethiones 2-Thiopyrimidines Hydropyrimidines Thioureas Secondary alcohols Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - N-phenylthiourea - Benzonitrile - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Thiourea - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Alcohol - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available