Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCN2C=C(NC(=O)C3=CC=CC=C3SC(F)F)C=N2)SC=N1

InChIKey

InChIKey=WZNYHAPMFBIYME-UHFFFAOYSA-N

Formula

C17H16F2N4OS2

Mass

394.46

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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 - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - 4,5-disubstituted 1,3-thiazole - Alkylarylthioether - Vinylogous thioester - Azole - Heteroaromatic compound - Pyrazole - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Thioether - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organosulfur compound - 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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