Structure Information
Structure

Compound Identification

SMILES

CC1=NN=C(CSC2=CC=C(C=C2)C(=O)NN=CC2=CC=CC=C2C(F)(F)F)S1

InChIKey

InChIKey=WPHJNEXINKBIOY-UHFFFAOYSA-N

Formula

C19H15F3N4OS2

Mass

436.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Sulfanylbenzoic acids and derivatives

Direct Parent

P-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

P-sulfanylbenzoic acid or derivatives - Trifluoromethylbenzene - Benzoyl - Aryl thioether - Thiophenol ether - Alkylarylthioether - Azole - Thiadiazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Hydrocarbon derivative - Alkyl halide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Alkyl fluoride - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.

External Descriptors

Not available

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