Structure Information
Structure

Compound Identification

SMILES

FC(F)SC1=CC=CC=C1C(=O)NC1=CN(CC2=CC=CC(=C2)C#N)N=C1

InChIKey

InChIKey=RQDNWSOUGRMTEG-UHFFFAOYSA-N

Formula

C19H14F2N4OS

Mass

384.4

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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 - Benzonitrile - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Azole - Heteroaromatic compound - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Cyanide - 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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