Compound Identification
SMILES
CCCCS(=O)(=O)N1CCCC1C1=NC(=NO1)C1=CC=C(C)C=C1
InChIKey
InChIKey=KBQWEBHJUPQHJN-UHFFFAOYSA-N
Formula
C17H23N3O3S
Mass
349.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxadiazoles
-
Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
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Level 5
1,2,4-oxadiazoles
-
Subclass
Oxadiazoles
-
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
Toluenes Organosulfonamides Organic sulfonamides Sulfonyls Pyrrolidines Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Toluene - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Azacycle - Oxacycle - Organooxygen compound - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur 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