Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(NC(=S)N1C1=CC=CC(=C1)C(F)(F)F)C1=CC=C(C=C1)C#N)C(N)=O

InChIKey

InChIKey=WHVXSFAZGZWOEA-UHFFFAOYSA-N

Formula

C20H15F3N4OS

Mass

416.42

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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 - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Thiourea - Tertiary amine - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Cyanide - Carbonyl group - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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