Compound Identification
SMILES
COC1=CC=CC=C1C1=NOC(COC(=O)C2=CSC(=N2)C2=CC=C(F)C=C2)=N1
InChIKey
InChIKey=ICNFWXVNYGGQAY-UHFFFAOYSA-N
Formula
C20H14FN3O4S
Mass
411.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
Thiazolecarboxylic acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes 2,4-disubstituted thiazoles Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Phenol ether - Thiazolecarboxylic acid or derivatives - Methoxybenzene - Anisole - Phenoxy compound - Halobenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Fluorobenzene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen 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