Compound Identification
SMILES
CC1=NC(C)=C(S1)C(=O)C1=C([O-])C(=O)N(CCC[N+]2=CNC=C2)C1C1=CC=CC=C1
InChIKey
InChIKey=QTUQODAFUWNOFX-UHFFFAOYSA-N
Formula
C22H22N4O3S
Mass
422.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
2,4,5-trisubstituted thiazoles Aryl ketones Pyrroline carboxylic acids and derivatives Benzene and substituted derivatives N-substituted imidazoles Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Pyrroline carboxylic acid or derivatives - Aryl ketone - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Vinylogous acid - Lactam - Ketone - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available