Compound Identification
SMILES
CC1=CC=CC=C1COC1=C(C=C(Br)C=C1)[C@@H]1C2C(SC3=C1SC(=O)N3)C(=O)N(C2=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=MDTFRPYZJCGAHK-ZLHNRXBCSA-N
Formula
C28H20Br2N2O4S2
Mass
672.41
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
Phenol ethers Phenoxy compounds Toluenes Alkyl aryl ethers Alkylarylthioethers Bromobenzenes Thiopyrans Aryl bromides Pyrrolidine-2-ones N-substituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Thiazoles Pyrroles Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Thiopyran - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Pyrrole - Carboxylic acid imide - Dicarboximide - Lactam - Azacycle - Thioether - Carboxylic acid derivative - Ether - Carbonyl group - Organic oxide - Organohalogen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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