Compound Identification
SMILES
O=C(CSC1=NC=CC(=N1)C1=CC=CS1)N1CCCN(CC2=NOC(=N2)C2=CC=CC=C2)CC1
InChIKey
InChIKey=CHBGRQQKEALTLQ-UHFFFAOYSA-N
Formula
C24H24N6O2S2
Mass
492.62
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
1,4-diazepanes Alkylarylthioethers Aralkylamines Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Aryl thioether - 1,4-diazepane - Diazepane - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen 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