Compound Identification
SMILES
NC1=CC=CC=C1SC1CC(=O)N(C1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=YIGVXUJWRRWAOW-UHFFFAOYSA-N
Formula
C16H13BrN2O2S
Mass
377.26
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
Thiophenol ethers Aniline and substituted anilines Alkylarylthioethers Bromobenzenes Pyrrolidine-2-ones Aryl bromides N-substituted carboxylic acid imides Pyrroles Dicarboximides Amino acids and derivatives Lactams Sulfenyl compounds Azacyclic compounds Organic oxides Primary amines Organobromides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Aryl thioether - Aniline or substituted anilines - Thiophenol ether - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Pyrrolidone - 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrrole - Amino acid or derivatives - Lactam - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organonitrogen compound - Amine - Organooxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - 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