Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(SC2=N[C@@H]3[C@H](C=C2)N([C@@H](C#N)[C@@H]3C#N)C2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=PKRKMVLEXJBECX-IWFBPKFRSA-N

Formula

C21H14Cl2N4S

Mass

425.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Phenylpyrrolidines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrrolidines

Alternative Parents

Pyrrolopyridines Dialkylarylamines Aryl thioethers Aniline and substituted anilines Chlorobenzenes Pyridines and derivatives Imidothiolactones Aryl chlorides Pyrroles Alpha-aminonitriles Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylpyrrolidine - Pyrrolopyridine - Aryl thioether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Imidothiolactone - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyrrole - Alpha-aminonitrile - Tertiary amine - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carbonitrile - Nitrile - Cyanide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic 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

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