Compound Identification
SMILES
ClC1=C(NC(=S)N2CCCN(CC3=NOC(=N3)C3=CC=CC=C3)CC2)C=CC(Br)=C1
InChIKey
InChIKey=WXJZACKUGOYURJ-UHFFFAOYSA-N
Formula
C21H21BrClN5OS
Mass
506.85
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
-
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
N-phenylthioureas 1,4-diazepanes Aralkylamines Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Trialkylamines Thioureas Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organobromides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - N-phenylthiourea - 1,4-diazepane - Bromobenzene - Chlorobenzene - Diazepane - Halobenzene - Aralkylamine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Aryl chloride - Heteroaromatic compound - Tertiary aliphatic amine - Thiourea - Tertiary amine - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Amine - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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