Structure Information
Structure

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

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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 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

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