Compound Identification
SMILES
CC1=CC(\C(O)=C2\C(N(C3=NN=C(SCC4=C(Cl)C=C(Cl)C=C4)S3)C(=O)C2=O)C2=CC(Cl)=CC=C2)=C(C)C=C1
InChIKey
InChIKey=JKRKTQHLMHFHAE-ZNTNEXAZSA-N
Formula
C28H20Cl3N3O3S2
Mass
616.96
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
p-Xylenes Dichlorobenzenes Alkylarylthioethers Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl chlorides Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Sulfenyl compounds Azacyclic compounds Enols Organochlorides Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Aryl thioether - P-xylene - Xylene - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Azole - Heteroaromatic compound - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Thiadiazole - Cyclic ketone - Carboxamide group - Lactam - Ketone - Thioether - Sulfenyl compound - Carboxylic acid derivative - Enol - Azacycle - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available