Structure Information
Structure

Compound Identification

SMILES

CC1CN(CCN1C(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)CSC1=NN=C(N1C1=CC=C(C)C=C1)C1=CC=CO1

InChIKey

InChIKey=KRTVSGYFMGOBGO-UHFFFAOYSA-N

Formula

C27H26N6O5S

Mass

546.6

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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 heteromonocyclic compounds

Substituents

Phenyl-1,2,4-triazole - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Toluene - Alkylarylthioether - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Heteroaromatic compound - Furan - Tertiary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Azacycle - Thioether - Sulfenyl compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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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