Structure Information
Structure

Compound Identification

SMILES

Cl.CCc1cc(-c2nnc(C(=O)NCC(F)(F)F)n2-c2ccc(CN3CCN(CC4CCN(CC4)C(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)CC3)cc2)c(O)cc1O

InChIKey

InChIKey=WGGDLYKTIGDOGT-KYYDUREMSA-N

Formula

C49H54Cl2F3N11O4S

Mass

1021.0

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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 - Thieno-para-diazepine - N-acyl-piperidine - Phenylmethylamine - Benzylamine - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - N-alkylpiperazine - Phenol - Halobenzene - Chlorobenzene - Para-diazepine - Benzenoid - Piperidine - Piperazine - N-acyl-amine - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Secondary ketimine - Tertiary aliphatic amine - Tertiary amine - Ketimine - Carboxamide group - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Imine - Amine - Alkyl halide - Alkyl fluoride - 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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