Compound Identification
SMILES
COC1=CC=CC=C1C1=NOC(CSC2=NC(CC3=CC=CC=C3)=C(C)N2)=N1
InChIKey
InChIKey=SCQZUABSKPBVDF-UHFFFAOYSA-N
Formula
C21H20N4O2S
Mass
392.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Phenoxy compounds Methoxybenzenes Anisoles 2,4,5-trisubstituted imidazoles Alkylarylthioethers Alkyl aryl ethers Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - 2,4,5-trisubstituted-imidazole - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Trisubstituted imidazole - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Imidazole - Thioether - Oxacycle - Ether - Azacycle - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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