Compound Identification
SMILES
CC1=NC2=C(S1)C=CC(OC[C@H](O)CN1CCN(CC3=NOC(=N3)C3=CC=CC(=C3)C#N)CC1)=C2
InChIKey
InChIKey=MHCJLGAMVALBOM-HXUWFJFHSA-N
Formula
C25H26N6O3S
Mass
490.58
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
Benzothiazoles Phenol ethers Benzonitriles N-alkylpiperazines Aralkylamines Alkyl aryl ethers Thiazoles Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - 1,3-benzothiazole - Benzonitrile - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Benzenoid - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Heteroaromatic compound - Thiazole - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Oxacycle - Nitrile - Carbonitrile - Ether - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Cyanide - Alcohol - Aromatic heteropolycyclic 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