Compound Identification
SMILES
COC1=CC(C2=NOC(CSC3=NN=C(CC4=CC=CC=C4)N3C3=CC(C)=C(C)C=C3)=N2)=C(OC)C=C1
InChIKey
InChIKey=XWVMSALZKXBHGG-UHFFFAOYSA-N
Formula
C28H27N5O3S
Mass
513.62
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
Phenyl-1,2,4-triazoles Dimethoxybenzenes o-Xylenes Phenoxy compounds Anisoles Alkylarylthioethers Alkyl aryl ethers Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltriazole - Phenyl-1,2,4-triazole - Phenyl-1,2,4-oxadiazole - Dimethoxybenzene - P-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Aryl thioether - Methoxybenzene - Xylene - O-xylene - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Triazole - 1,2,4-triazole - Sulfenyl compound - Thioether - Ether - Azacycle - Oxacycle - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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