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Structure Information
Structure

Compound Identification

SMILES

NC1=CC(=O)SC(S1)=C1C(=O)NN(C1=O)C1=CC=CC=C1

InChIKey

InChIKey=CNBQUTFZLKMBMJ-UHFFFAOYSA-N

Formula

C13H9N3O3S2

Mass

319.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Dithiins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Dithiins

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Monocyclic benzene moiety - 1,3-dithiin - Vinylogous thioester - Benzenoid - Pyrazolidinone - Acrylic acid or derivatives - Pyrazolidine - Vinylogous amide - Carbothioic s-lactone - Carboxylic acid hydrazide - Ketene acetal or derivatives - Thiocarboxylic acid ester - Carboxylic acid derivative - Azacycle - Thiocarboxylic acid or derivatives - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as dithiins. These are compounds comprising a dithiin ring, which is an unsaturated six-member heterocycle containing four carbon atoms, two sulfur atoms and two double bonds.

External Descriptors

Not available

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