Compound Identification
SMILES
CSC1=C(C=CC(CN2CCCN(CC3=NOC(=N3)C3=CC=CC=C3)CC2)=N1)C#N
InChIKey
InChIKey=OWOUNFHWNZCDJS-UHFFFAOYSA-N
Formula
C22H24N6OS
Mass
420.54
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
6-substituted-2-pyridinylmethylamines 3-pyridinecarbonitriles Aralkylamines Alkylarylthioethers 1,4-diazepanes Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Sulfenyl compounds Oxacyclic compounds Nitriles Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - 6-substituted-2-pyridinylmethylamine - 2-pyridylmethylamine - Aryl thioether - 3-pyridinecarbonitrile - 1,4-diazepane - Diazepane - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Sulfenyl compound - Azacycle - Thioether - Oxacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Amine - 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