Structure Information
Structure

Compound Identification

SMILES

CC1CN(CCN1C(=O)C1=CC=CC=C1Br)C(=O)CCCSC1=NN=C(N1C1=CC=C(C)C=C1)C1=CC=CC=C1

InChIKey

InChIKey=HAMQTIDYQHKULA-UHFFFAOYSA-N

Formula

C31H32BrN5O2S

Mass

618.59

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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 - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Bromobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Vinylogous halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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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