Structure Information
Structure

Compound Identification

SMILES

FC1=CC=C(OCC2=NOC(COC(=O)C3=CC=CC=C3SCC3=CC=C(C=C3)C#N)=N2)C=C1

InChIKey

InChIKey=NHNWASDDNIMHKO-UHFFFAOYSA-N

Formula

C25H18FN3O4S

Mass

475.49

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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 - Benzoate ester - Phenol ether - Thiophenol ether - Benzoyl - Benzonitrile - Phenoxy compound - Aryl thioether - Fluorobenzene - Alkylarylthioether - Alkyl aryl ether - Halobenzene - Vinylogous thioester - Aryl halide - Aryl fluoride - 1,2,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Ether - Thioether - Carbonitrile - Nitrile - Organic oxide - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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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