Compound Identification
SMILES
CN1N=CC(C(O)=O)=C1SCC1=CC=CC=C1
InChIKey
InChIKey=LPFIATHFSAQRMC-UHFFFAOYSA-N
Formula
C12H12N2O2S
Mass
248.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazole carboxylic acids and derivatives
Alternative Parents
Alkylarylthioethers Vinylogous thioesters Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Pyrazole-4-carboxylic acid or derivatives - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Vinylogous amide - Heteroaromatic compound - Sulfenyl compound - Thioether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
External Descriptors
Not available