Compound Identification
SMILES
FC(F)(F)OC1=CC=C(\C=C\C2=NC(COC3=CC=C(CS(=O)CCN4C=CN=N4)C=C3)=CO2)C=C1
InChIKey
InChIKey=LPXCQTJELNCULE-BJMVGYQFSA-N
Formula
C24H21F3N4O4S
Mass
518.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzyl sulfoxides
- Level 5 Benzyl alkyl sulfoxides
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Subclass
Benzyl sulfoxides
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
Benzyl alkyl sulfoxides
Alternative Parents
Phenol ethers Phenoxy compounds Styrenes 2,4-disubstituted oxazoles Alkyl aryl ethers Triazoles Heteroaromatic compounds Trihalomethanes Sulfoxides Oxacyclic compounds Azacyclic compounds Sulfinyl compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl alkyl sulfoxide - Phenoxy compound - Styrene - Phenol ether - 2,4-disubstituted 1,3-oxazole - Alkyl aryl ether - Azole - 1,2,3-triazole - Heteroaromatic compound - Oxazole - Sulfoxide - Trihalomethane - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Sulfinyl compound - Organic nitrogen compound - Hydrocarbon derivative - Halomethane - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl alkyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group, and an alkyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=alkyl).
External Descriptors
Not available