4-[4-(Benzyloxy)Phenyl]-3-{[2-(4-Chlorophenyl)-2-Oxoethyl]Sulfanyl}-4,5-Dihydro-1H-1,2,4-Triazol-5-One

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Formula C23H18ClN3O3S
IUPAC Name 4-(4-benzyloxyphenyl)-3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1h-1,2,4-triazol-5-one
Molecular Mass 451.925 g·mol−1
Heat of Formation 3.4 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 502.71 Å 3
Surface Area 452.35 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-(benzyloxy)phenyl]-5-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-2h-1,2,4-triazol-3-one
  • 5-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-[4-(phenylmethoxy)phenyl]-2h-1,2,4-triazol-3-one
  • 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-[4-(phenylmethoxy)phenyl]-2h-1,2,4-triazol-3-one
  • 5-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-[4-(phenylmethoxy)phenyl]-2h-1,2,4-triazol-3-one
InChIKey FNMAMFARXSOJGR-UHFFFAOYSA-N
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Elements C Cl H O N S