Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(SCCC(=O)CNC2=NC(N)=NC(N)=C2[N+]([O-])=O)C=C1

InChIKey

InChIKey=WBUIUKSSHSEQPZ-UHFFFAOYSA-N

Formula

C16H18N6O5S

Mass

406.42

Export to:

JSON SDF CSV

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

P-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

P-sulfanylbenzoic acid or derivatives - Benzoate ester - Nitroaromatic compound - Thiophenol ether - Benzoyl - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Secondary aliphatic/aromatic amine - Imidolactam - Pyrimidine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Ketone - Organic nitro compound - C-nitro compound - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Thioether - Sulfenyl compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-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 4, respectively.

External Descriptors

Not available

Previous Back Next