Compound Identification
SMILES
COC(=O)\N=C(/SC)C(=NC1=CC=C(C=C1)C1=NOC(C)=N1)C1=CC(OC)=C(OCC#N)C=C1
InChIKey
InChIKey=YRHUICPXPCJUIN-UYVIJUQPSA-N
Formula
C23H21N5O5S
Mass
479.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxadiazoles
-
Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
-
Level 5
1,2,4-oxadiazoles
-
Subclass
Oxadiazoles
-
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
Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Secondary ketimines Azomethines Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azomethine - Heteroaromatic compound - Secondary ketimine - Ketimine - Ether - Carbonitrile - Nitrile - Oxacycle - Sulfenyl compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Cyanide - Carbonyl group - Organic nitrogen compound - Imine - 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