Compound Identification
SMILES
CCOC(=O)C1=C(C)O\C(S1)=C1/C(=O)N(N=C1C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=GHZZKGOJVGLCCY-OQKWZONESA-N
Formula
C22H18N2O4S
Mass
406.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azolines
-
Subclass
Pyrazolines
- Level 5 Pyrazolones
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Subclass
Pyrazolines
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Class
Azolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azolines
Subclass
Pyrazolines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolones
Alternative Parents
Vinylogous thioesters Benzene and substituted derivatives Vinylogous esters Monothioacetals Enoate esters Thioenol ethers Ketene acetals Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Vinylogous thioester - Monothioacetal - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Carboxylic acid ester - Ketene acetal or derivatives - Thioenolether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazolones. These are compounds containing a pyrazole ring which bears a ketone.
External Descriptors
Not available