Compound Identification
SMILES
[Na+].NC1=NC(=NS1)C(=O)C([O-])=O
InChIKey
InChIKey=TWLXYQKZEXCTAF-UHFFFAOYSA-M
Formula
C4H2N3NaO3S
Mass
195.13
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
- Level 6 Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones
Direct Parent
Aryl ketones
Alternative Parents
Alpha-keto acids and derivatives Thiadiazoles Heteroaromatic compounds Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl ketone - Alpha-keto acid - Keto acid - Azole - Thiadiazole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic alkali metal salt - Organic salt - Organic zwitterion - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Organic sodium salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
External Descriptors
Not available