Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Thioethers

Subclass

Aryl thioethers

Intermediate Tree Nodes

Not available

Direct Parent

Aryl thioethers

Alternative Parents

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

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