Structure Information
Structure

Compound Identification

SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)NNC(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=MKQZSPCAORDXKJ-UHFFFAOYSA-N

Formula

C18H18N4O5S

Mass

402.43

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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 homomonocyclic compounds

Substituents

O-sulfanylbenzoic acid or derivatives - Nitrobenzene - Benzoyl - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Thioether - Sulfenyl compound - Organonitrogen compound - Organic salt - Organic oxide - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Aromatic homomonocyclic 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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