Structure Information
Structure

Compound Identification

SMILES

CCC(C)(CC)C1=NN=C(NC(=O)C2=C(OC)C=C(C=C2SC)C(F)(F)F)S1

InChIKey

InChIKey=SRRFRKFQNNNWAJ-UHFFFAOYSA-N

Formula

C18H22F3N3O2S2

Mass

433.51

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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

O-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

O-sulfanylbenzoic acid or derivatives - Trifluoromethylbenzene - Benzamide - Aryl thioether - Anisole - Benzoyl - Methoxybenzene - Thiophenol ether - Phenol ether - Phenoxy compound - Alkylarylthioether - Alkyl aryl ether - Vinylogous thioester - Thiadiazole - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-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 2, respectively.

External Descriptors

Not available

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