Compound Identification
SMILES
COCCN(C(=O)C1CCC(C)CC1)C1=C(SC(=C1)C1=CC=C(C=C1)C1=NN2C=CC=NC2=C1)C(O)=O
InChIKey
InChIKey=MEQNSCVDQVPWDB-UHFFFAOYSA-N
Formula
C28H30N4O4S
Mass
518.63
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
Pyrazolo[1,5-a]pyrimidines Thiophene carboxylic acids 2,3,5-trisubstituted thiophenes Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic 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