Compound Identification
SMILES
[Na+].CS([O-])(=O)=O.CNC1=C(C)N(C)N(C1=O)C1=CC=CC=C1
InChIKey
InChIKey=WQIYNUDFAMDDFU-UHFFFAOYSA-M
Formula
C13H18N3NaO4S
Mass
335.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Pyrazoles
- Level 5 Phenylpyrazoles
-
Subclass
Pyrazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Secondary alkylarylamines Pyrazolones Benzene and substituted derivatives Vinylogous amides Sulfonyls Organosulfonic acids Alkanesulfonic acids Heteroaromatic compounds Methanesulfonates Lactams Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
Molecular Framework
Not available
Substituents
Phenylpyrazole - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Pyrazolinone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Vinylogous amide - Methanesulfonate - Alkanesulfonic acid - Lactam - Secondary amine - Organic alkali metal salt - Azacycle - Amine - Organic nitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors
Not available