Compound Identification
SMILES
CC1=CC=CC=C1C1=NOC(=N1)C(\Cl)=C\C1=CC=C(C=C1)C#N
InChIKey
InChIKey=MTKDRIDJDIYESU-YBEGLDIGSA-N
Formula
C18H12ClN3O
Mass
321.76
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
Benzonitriles Toluenes Heteroaromatic compounds Vinyl chlorides Oxacyclic compounds Nitriles Chloroalkenes Azacyclic compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Benzonitrile - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbonitrile - Nitrile - Vinyl chloride - Vinyl halide - Haloalkene - Chloroalkene - Azacycle - Oxacycle - Organooxygen compound - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - 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