Compound Identification
SMILES
COC1=CC(NC2=NC(N)=C(S2)C2=NC(=NO2)C2=C(C)C=CC(NC(=O)CC3=C(C)NC(=S)S3)=C2)=CC(OC)=C1OC
InChIKey
InChIKey=SURVMKUKRYUXNN-UHFFFAOYSA-N
Formula
C27H27N7O5S3
Mass
625.74
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
Anilides Methoxyanilines 2,4,5-trisubstituted thiazoles Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Toluenes Imidolactams 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Secondary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds Organosulfur compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Anilide - Methoxyaniline - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - N-arylamide - Aniline or substituted anilines - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - 1,3-thiazolamine - Imidolactam - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Primary amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Amine - 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