1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone
Basic information
- CAS
6611-42-3- Standard SMILES
O=C(CSc1n[nH]c(-c2ccccc2)n1)c1ccc(F)cc1- InChIKey
LELGTAZIFDGUSF-UHFFFAOYSA-N- Molecular formula
- C16H12FN3OS
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.06851135
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone
- IUPAC
- 1-(4-fluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Names & synonyms
1-(4-fluorophenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone1-(4-fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanoneCambridge id 6611423SCHEMBL23527174DTXSID30984602STK927356AKOS001309045AKOS002376106CCG-354102AP-048/15614084Z2230261641-(4-fluorophenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]ethanone
Show more names
1-(4-Fluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Database identifiers
- CAS
6611-42-3- PubChem CID
- 735702
- DTXSID
DTXSID30984602
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 370
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Compound notes
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