Compound Identification
SMILES
CCC1=CC=C(C=C1)N1C(SCC2=NC(=NO2)C2=CC=CC=C2C)=NN=C1C1=CC=CC=C1
InChIKey
InChIKey=LBHOUJWRYOASLN-UHFFFAOYSA-N
Formula
C26H23N5OS
Mass
453.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Phenyl-1,2,4-triazoles Toluenes Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltriazole - Phenyl-1,2,4-oxadiazole - Phenyl-1,2,4-triazole - Aryl thioether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Triazole - 1,2,4-triazole - Heteroaromatic compound - Sulfenyl compound - Thioether - Oxacycle - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen 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