Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=NOC(CN2CCC[C@H]2C2=CC=CS2)=N1
InChIKey
InChIKey=CIPVERSWGGMUAS-AWEZNQCLSA-N
Formula
C19H21N3O3S
Mass
371.46
Taxonomic Classification
Taxonomy Tree
-
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
Dimethoxybenzenes Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers N-alkylpyrrolidines Thiophenes Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen 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