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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
-
Subclass
Aryl thioethers
- Level 5 Diarylthioethers
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Subclass
Aryl thioethers
-
Class
Thioethers
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylthioethers
Alternative Parents
Indoles Pyrrolizines Substituted pyrroles Pyrimidines and pyrimidine derivatives Aryl bromides Aryl fluorides Benzenoids Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organofluorides Organonitrogen compounds
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