Compound Identification
SMILES
CC1=CC(C([O-])=O)=C(CSC2=NC=NN2)O1
InChIKey
InChIKey=PSKJNTBEQBLDNV-UHFFFAOYSA-M
Formula
C9H8N3O3S
Mass
238.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Furans
-
Subclass
Furoic acid and derivatives
- Level 5 Furoic acids
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Subclass
Furoic acid and derivatives
-
Class
Furans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furans
Subclass
Furoic acid and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Furoic acids
Alternative Parents
Furan-3-carboxylic acids Alkylarylthioethers Triazoles Heteroaromatic compounds Carboxylic acid salts Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Aryl thioether - Furoic acid - Alkylarylthioether - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.
External Descriptors
Not available