Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C1=NN([C@@H]2CC(=O)[C@@H]3OC[C@H]2O3)C(=S)N1C1=CC=CC=C1

InChIKey

InChIKey=HZZBZOJDSUOOLF-SZVBFZGTSA-N

Formula

C20H16ClN3O3S

Mass

413.88

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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 - Oxepane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxane - Meta-dioxolane - Heteroaromatic compound - Ketone - Acetal - Oxacycle - Azacycle - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aldehyde - 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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