3-(2-furyl)-4-phenyl-5-{[4-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole

HCID 46224992
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Basic information

Standard SMILES
FC(F)(F)c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1
InChIKey
VXBDPSVZFRZIKU-UHFFFAOYSA-N
Molecular formula
C20H14F3N3OS
Average molar mass
401.4 g/mol

Names & identifiers

Preferred name
3-(2-furyl)-4-phenyl-5-{[4-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole
IUPAC
3-(furan-2-yl)-4-phenyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole

Names & synonyms

3-(2-furyl)-4-phenyl-5-{[4-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazoleCHEMBL600671SCHEMBL3915355

Database identifiers

PubChem CID
46224992
ChEMBL
CHEMBL600671

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
69.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
28

Related reactions

1 records
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Compound notes

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