Structure Information
Structure

Compound Identification

SMILES

C1=CC=NC=C1.CCN1C(=S)S\C(C1=O)=C1/SC(SC)=N/[N+]/1=C\CCS([O-])(=O)=O

InChIKey

InChIKey=OWMPOVHEMCXPPD-QCFDQMOTSA-N

Formula

C16H18N4O4S5

Mass

490.64

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Thioethers

Subclass

Aryl thioethers

Intermediate Tree Nodes

Not available

Direct Parent

Aryl thioethers

Alternative Parents

Alkylarylthioethers Thiazolidinethiones Pyridines and derivatives Thiadiazoles Sulfonyls Alkanesulfonic acids Organosulfonic acids Cyclic dithiocarbamic acid esters Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Organic zwitterions Organonitrogen compounds Carbonyl compounds Organic salts Hydrocarbon derivatives Organic oxides

Molecular Framework

Not available

Substituents

Aryl thioether - Alkylarylthioether - Pyridine - Thiazolidinethione - Azole - Cyclic dithiocarbamic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid - Dithiocarbamic acid ester - Sulfonyl - Thiadiazole - Thiazolidine - Alkanesulfonic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.

External Descriptors

Not available

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