Structure Information
Structure

Compound Identification

SMILES

NC(=O)CSC1=CC=CC=C1C(=O)OCC1=NC=CN1CC1=CC=CC=C1

InChIKey

InChIKey=ZKLKIFGHIASUCC-UHFFFAOYSA-N

Formula

C20H19N3O3S

Mass

381.45

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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

Benzoate ester - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen 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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