Compound Identification
SMILES
[O-][N+](=O)C1=CC(=C(NC(=S)NC2=C(Cl)C=C(Br)C=C2)C=C1)C(F)(F)F
InChIKey
InChIKey=HUHNACDOAMBCDV-UHFFFAOYSA-N
Formula
C14H8BrClF3N3O2S
Mass
454.65
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 Nitrobenzenes Nitroaromatic compounds Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Alkyl fluorides Organic oxides Organic salts Hydrocarbon derivatives Organobromides Organochlorides Organofluorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Trifluoromethylbenzene - N-phenylthiourea - Nitrobenzene - Nitroaromatic compound - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Thiourea - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Alkyl fluoride - Alkyl halide - Organobromide - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic 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