Compound Identification
SMILES
CC1=CC(C)=C(C(C)=C1)S(=O)(=O)N1CCCC1C1=NC(=NO1)C1=CC=C(F)C=C1
InChIKey
InChIKey=KQUWCKUMCZLWSN-UHFFFAOYSA-N
Formula
C21H22FN3O3S
Mass
415.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Azoles
-
Subclass
Oxadiazoles
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Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
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Level 5
1,2,4-oxadiazoles
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Subclass
Oxadiazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxadiazoles
Intermediate Tree Nodes
1,2,4-oxadiazoles
Direct Parent
Phenyloxadiazoles
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Fluorobenzenes Aryl fluorides Organosulfonamides Heteroaromatic compounds Pyrrolidines Sulfonyls Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Benzenesulfonamide - Benzenesulfonyl group - Halobenzene - Fluorobenzene - Aryl fluoride - Organosulfonic acid amide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Pyrrolidine - Azacycle - Oxacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors
Not available