Compound Identification
SMILES
COC1=CC=CC=C1C1=NOC(CSC2=NN=C(O2)C2=CC=C(Br)C=C2)=N1
InChIKey
InChIKey=NCCAWMFNXRMTSL-UHFFFAOYSA-N
Formula
C18H13BrN4O3S
Mass
445.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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 Bromobenzenes Alkylarylthioethers Alkyl aryl ethers Aryl bromides Heteroaromatic compounds 1,3,4-oxadiazoles Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Alkylarylthioether - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - 1,3,4-oxadiazole - Sulfenyl compound - Thioether - Oxacycle - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - 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