Structure Information
Structure

Compound Identification

SMILES

CCC1=CC2=C(C=C1)N=C(S2)N1[C@H](C(=C(O)C2=CC=CC=C2)C(=O)C1=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=ZFULHIDTPGZWOL-QFIPXVFZSA-N

Formula

C26H19BrN2O3S

Mass

519.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Phenylpyrrolidines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrrolidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylpyrrolidine - 1,3-benzothiazole - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Monocyclic benzene moiety - Thiazole - Azole - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Heteroaromatic compound - Cyclic ketone - Carboxamide group - Ketone - Lactam - Enol - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - 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

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