Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

N-phenylthioureas

Intermediate Tree Nodes

Not available

Direct Parent

N-phenylthioureas

Alternative Parents

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

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