Compound Identification
SMILES
COC(=O)CCN1N=C(C2=CC=CC=C2)C(C2=CC=CC=C2)=C(C1=O)S(C)(=O)=O
InChIKey
InChIKey=QCAQAFVGRIBAFO-UHFFFAOYSA-N
Formula
C21H20N2O5S
Mass
412.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
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Subclass
Pyridazines and derivatives
- Level 5 Phenylpyridazines
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Subclass
Pyridazines and derivatives
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Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyridazines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridazines
Alternative Parents
Pyridazinones Benzene and substituted derivatives Sulfones Methyl esters Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyridazine - Pyridazinone - Monocyclic benzene moiety - Benzenoid - Sulfone - Sulfonyl - Methyl ester - Heteroaromatic compound - Lactam - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group.
External Descriptors
Not available