Compound Identification
SMILES
CC1=CSC(NC(=O)[C@@H]2CN(C(=O)C2)C2=C(C)C=C(Br)C=C2)=N1
InChIKey
InChIKey=FCDPSQBJBWHTBS-NSHDSACASA-N
Formula
C16H16BrN3O2S
Mass
394.29
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Pyrrolidinecarboxamides N-arylamides Toluenes 2,4-disubstituted thiazoles Bromobenzenes Aryl bromides Pyrrolidine-2-ones Tertiary carboxylic acid amides Heteroaromatic compounds Pyrroles Lactams Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - N-arylamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Azole - Heteroaromatic compound - Thiazole - Pyrrole - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen 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