Compound Identification
SMILES
Cl.CCOC(=O)C1=CN(C\C=C2/CN(CCC2SC(C)=O)C(C(=O)C2CC2)C2=CC=CC=C2F)N=C1
InChIKey
InChIKey=JATNLCAKXJESAL-ZIOFAICLSA-N
Formula
C26H31ClFN3O4S
Mass
536.06
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
Aralkylamines Fluorobenzenes Piperidines Aryl fluorides Vinylogous amides Alpha-amino ketones Heteroaromatic compounds Trialkylamines Thioesters Amino acids and derivatives Carbothioic S-esters Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Hydrochlorides Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazole-4-carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Alpha-aminoketone - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Thiocarboxylic acid ester - Carbothioic s-ester - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Ketone - Thiocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organosulfur compound - Amine - Hydrocarbon derivative - Hydrochloride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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