Compound Identification
SMILES
C[C@H](NC1=CC=C(Br)C=C1)C1=NN=C(SCC(=O)N\N=C(\C)C2=CC=C(F)C=C2)N1C
InChIKey
InChIKey=ABMHKGYIAUSPDG-IDFPFIHXSA-N
Formula
C21H22BrFN6OS
Mass
505.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
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Class
Thioethers
- Subclass Aryl thioethers
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Class
Thioethers
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Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thioethers
Alternative Parents
Aniline and substituted anilines Phenylalkylamines Alkylarylthioethers Secondary alkylarylamines Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Triazoles Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Organobromides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - Aryl thioether - Phenylalkylamine - Bromobenzene - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - Aralkylamine - Aryl halide - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Azole - 1,2,4-triazole - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Secondary amine - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors
Not available