Compound Identification
SMILES
BrC1=CC=C(C=C1)C1=CSC(SCC(=O)NC2=CC=C(C=C2)N2CCCC2)=N1
InChIKey
InChIKey=DXNFGTUMTUJCPO-UHFFFAOYSA-N
Formula
C21H20BrN3OS2
Mass
474.44
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
Anilides Aniline and substituted anilines Dialkylarylamines N-arylamides Alkylarylthioethers Bromobenzenes 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Pyrroles Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Anilide - Aryl thioether - Aniline or substituted anilines - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrrole - Thiazole - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organohalogen compound - Organobromide - Carbonyl group - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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