Compound Identification
SMILES
CC(=O)C1=C(C)N=C(S1)N1C(C(C(=O)C2=C(C)N=C(C)S2)=C(O)C1=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=SQWBFVCSSKUKJB-UHFFFAOYSA-N
Formula
C22H18ClN3O4S2
Mass
487.97
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 alkyl ketones Pyrroline carboxylic acids and derivatives Chlorobenzenes Aryl chlorides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Enols Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Pyrroline carboxylic acid or derivatives - Aryl ketone - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Azole - Thiazole - Vinylogous acid - Carboxamide group - Lactam - Ketone - Azacycle - Carboxylic acid derivative - Enol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - 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