Basic information
- Standard SMILES
c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1- InChIKey
HKFMRBGOYPNVCU-UHFFFAOYSA-N- Molecular formula
- C20H17N3OS
- Average molar mass
- 347.4 g/mol
Names & identifiers
- Preferred name
- 4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole
- IUPAC
- 4-benzyl-3-benzylsulfanyl-5-(furan-2-yl)-1,2,4-triazole
Names & synonyms
4-benzyl-3-(benzylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazole728027-99-44-benzyl-3-(benzylthio)-5-(2-furyl)-4H-1,2,4-triazoleSMR000082061MLS000052563CHEMBL252901SCHEMBL3904525REGID_for_CID_2234685HMS2298P03EBC-06943STK782080AKOS001749672
Show more names
ST4120042EN300-26474941Z143593694-benzyl-3-benzylsulfanyl-5-(2-furyl)-1,2,4-triazole4-benzyl-3-(benzylthio)-5-(furan-2-yl)-4H-1,2,4-triazole5-(2-furyl)-4-benzyl-3-(phenylmethylthio)-1,2,4-triazole4H-1,2,4-Triazole, 3-(2-furanyl)-4-(phenylmethyl)-5-[(phenylmethyl)thio]-
Database identifiers
- PubChem CID
- 2234685
- ChEMBL
CHEMBL252901
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 398
Related reactions
1 records
Compound notes
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