Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CN([C@@H](C2=CC(Br)=CS2)C2=CC(O)=CC=C2)[C@@H](C)CN1CC=C

InChIKey

InChIKey=QLKRUWGWOGDGJE-QEEYODRMSA-N

Formula

C20H25BrN2OS

Mass

421.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

1-hydroxy-4-unsubstituted benzenoids

Intermediate Tree Nodes

Not available

Direct Parent

1-hydroxy-4-unsubstituted benzenoids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - N-alkylpiperazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.

External Descriptors

Not available

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