Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC=C(C=NNC(=O)C(C)SC2=NN=C(CNC3=CC=CC4=CC=CC=C34)N2C2=CC=CC=C2)C=C1

InChIKey

InChIKey=NTJDNNROEFCLEK-UHFFFAOYSA-N

Formula

C33H35N7OS

Mass

577.75

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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 - Naphthalene - Aryl thioether - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Secondary aliphatic/aromatic amine - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Secondary amine - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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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