Compound Identification
SMILES
O[C@@H](CNCCC1=CC=C(NS(=O)(=O)C2=CC=C(C=C2)C2=NOC(CCC(=O)N3CCCC3)=N2)C=C1)C1=CN=CC=C1
InChIKey
InChIKey=ZNVSBFVJADWRNG-MHZLTWQESA-N
Formula
C30H34N6O5S
Mass
590.7
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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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
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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
Sulfanilides Benzenesulfonamides Phenethylamines Benzenesulfonyl compounds N-acylpyrrolidines Aralkylamines Pyridines and derivatives Organosulfonamides Tertiary carboxylic acid amides Aminosulfonyl compounds Heteroaromatic compounds Tertiary amines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Organic oxides Aromatic alcohols Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Benzenesulfonamide - Sulfanilide - Phenethylamine - Benzenesulfonyl group - N-acylpyrrolidine - Aralkylamine - Monocyclic benzene moiety - Pyridine - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Tertiary amine - 1,2-aminoalcohol - Amino acid or derivatives - Secondary alcohol - Carboxamide group - Oxacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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