Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=NN=C(SCC2=CN3C=CC=CC3=N2)N1C[C@@H]1CCCO1

InChIKey

InChIKey=KLGOIWIVRKBNIB-IBGZPJMESA-N

Formula

C22H23N5O2S

Mass

421.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenyl-1,2,4-triazole - Imidazopyridine - Imidazo[1,2-a]pyridine - Anisole - Phenol ether - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkylarylthioether - Alkyl aryl ether - Pyridine - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Imidazole - Oxolane - Dialkyl ether - Ether - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.

External Descriptors

Not available

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