Compound Identification
SMILES
O=C(NC[C@H]1CCN(C1)C1=CC=CC=C1)C1=CC=CC=C1SC1=CC=CC=C1C#N
InChIKey
InChIKey=NBFXVUKEAFQANG-LJQANCHMSA-N
Formula
C25H23N3OS
Mass
413.54
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
Diarylthioethers O-sulfanylbenzoic acids and derivatives Benzamides Thiophenol ethers Aniline and substituted anilines Benzonitriles Benzoyl derivatives Dialkylarylamines Vinylogous thioesters Pyrroles Amino acids and derivatives Secondary carboxylic acid amides Nitriles Azacyclic compounds Sulfenyl compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diarylthioether - 1-phenylpyrrolidine - O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Aryl thioether - Benzonitrile - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Thiophenol ether - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Pyrrole - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Thioether - Sulfenyl compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Azacycle - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - 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