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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Dithiins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dithiins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Dithiins
Alternative Parents
Vinylogous thioesters Pyrazolidinones Benzene and substituted derivatives Vinylogous amides Carbothioic S-lactones Acrylic acids and derivatives Thioesters Ketene acetals Carboxylic acid hydrazides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
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