4-benzyl-3-[(4-chlorobenzyl)thio]-5-(2-furyl)-4H-1,2,4-triazole

HCID 7181809
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Basic information

Standard SMILES
Clc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1
InChIKey
SETKVKSECUZABH-UHFFFAOYSA-N
Molecular formula
C20H16ClN3OS
Average molar mass
381.9 g/mol

Names & identifiers

Preferred name
4-benzyl-3-[(4-chlorobenzyl)thio]-5-(2-furyl)-4H-1,2,4-triazole
IUPAC
4-benzyl-3-[(4-chlorophenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazole

Names & synonyms

CHEMBL591085SCHEMBL3906023SETKVKSECUZABH-UHFFFAOYSA-N4-benzyl-3-[(4-chlorobenzyl)thio]-5-(2-furyl)-4H-1,2,4-triazole

Database identifiers

PubChem CID
7181809
ChEMBL
CHEMBL591085

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
69.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
26

Related reactions

1 records
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Compound notes

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