Compound Identification
SMILES
CC1=CC=C(C=C1)C1=C(N=C(SC2CC(=O)N(C2=O)C2=CC=C(Br)C=C2)N=N1)C1=CC=C(C)C=C1
InChIKey
InChIKey=YTYVPSPSRWFKNP-UHFFFAOYSA-N
Formula
C27H21BrN4O2S
Mass
545.46
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
Toluenes Alkylarylthioethers Bromobenzenes 1,2,4-triazines Pyrrolidine-2-ones Aryl bromides N-substituted carboxylic acid imides Pyrroles Dicarboximides Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Aryl thioether - Bromobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Triazine - Benzenoid - 1,2,4-triazine - Dicarboximide - Pyrrole - Heteroaromatic compound - Carboxylic acid imide - Lactam - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen 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