Compound Identification
SMILES
CN1C(=S)N(C[NH+]2CCC[C@@H]2C2=CC3=C(OCCO3)C=C2)N=C1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KGEKQFRVVRYTQC-GOSISDBHSA-O
Formula
C22H24ClN4O2S
Mass
443.97
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Phenyl-1,2,4-triazoles Benzo-1,4-dioxanes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Para dioxins N-alkylpyrrolidines Heteroaromatic compounds Quaternary ammonium salts Pyrroles Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organochlorides Organosulfur compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Phenyltriazole - Phenyl-1,2,4-triazole - Benzo-1,4-dioxane - Benzodioxane - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Para-dioxin - Benzenoid - N-alkylpyrrolidine - Pyrrole - Azole - 1,2,4-triazole - Triazole - Quaternary ammonium salt - Heteroaromatic compound - Azacycle - Ether - Oxacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available