Compound Identification
SMILES
COC1=CC=CC(=C1)[C@@]1(C[C@@H](CSC2=CC=C(Cl)C=C2)ON1C)N1C=CN=C1
InChIKey
InChIKey=VNIWWTCHNQOEQS-PZJWPPBQSA-N
Formula
C21H22ClN3O2S
Mass
415.94
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Azolidines
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Subclass
Isoxazolidines
- Level 5 Phenylisoxazolidines
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Subclass
Isoxazolidines
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Class
Azolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azolidines
Subclass
Isoxazolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylisoxazolidines
Alternative Parents
Thiophenol ethers Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds N-organohydroxylamines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylisoxazolidine - Anisole - Phenol ether - Thiophenol ether - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkylarylthioether - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Oxacycle - Azacycle - N-organohydroxylamine - Sulfenyl compound - Ether - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylisoxazolidines. These are heterocyclic compounds containing an isoxazolidine conjugated by a phenyl group.
External Descriptors
Not available