Structure Information
Structure

Compound Identification

SMILES

OC(=O)CC1CCN2C3=CC(F)=CC(Br)=C3C(SC3=NC=CC=N3)=C12

InChIKey

InChIKey=XOIDTUAPMAYWDY-UHFFFAOYSA-N

Formula

C17H13BrFN3O2S

Mass

422.27

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Thioethers

Subclass

Aryl thioethers

Intermediate Tree Nodes

Not available

Direct Parent

Diarylthioethers

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Diarylthioether - Indole - Indole or derivatives - Pyrrolizine - Aryl fluoride - Aryl halide - Aryl bromide - Pyrimidine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Organohalogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.

External Descriptors

Not available

Previous Back Next