Compound Identification
SMILES
COC(=O)C1=C(N2C(=O)NCC3=C2C=CC(SC2=CC=C(F)C=C2)=N3)C(Cl)=CC=C1
InChIKey
InChIKey=ZHSDXUUEKUTZFL-UHFFFAOYSA-N
Formula
C21H15ClFN3O3S
Mass
443.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organosulfur compounds
-
Class
Thioethers
-
Subclass
Aryl thioethers
- Level 5 Diarylthioethers
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Subclass
Aryl thioethers
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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
3-halobenzoic acids and derivatives Benzoic acid esters Pyridopyrimidines Thiophenol ethers Benzoyl derivatives Chlorobenzenes Fluorobenzenes Pyrimidones Aryl fluorides Pyridines and derivatives Aryl chlorides Methyl esters Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Tertiary amines Ureas Azacyclic compounds Sulfenyl compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diarylthioether - Pyridopyrimidine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Thiophenol ether - Benzoyl - Fluorobenzene - Halobenzene - Chlorobenzene - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl fluoride - Pyrimidine - Pyridine - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Methyl ester - Tertiary amine - Urea - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organofluoride - 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