Structure Information
Structure

Compound Identification

SMILES

CN1C(=S)N(C[NH+]2CCC[C@@H]2C2=CC3=C(OCCO3)C=C2)N=C1C1=CC=C(Cl)C=C1

InChIKey

InChIKey=KGEKQFRVVRYTQC-GOSISDBHSA-O

Formula

C22H24ClN4O2S

Mass

443.97

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylpyrrolidine - Phenyltriazole - Phenyl-1,2,4-triazole - Benzo-1,4-dioxane - Benzodioxane - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Para-dioxin - Benzenoid - N-alkylpyrrolidine - Pyrrole - Azole - 1,2,4-triazole - Triazole - Quaternary ammonium salt - Heteroaromatic compound - Azacycle - Ether - Oxacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organic cation - 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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