2-{[4-Ethyl-5-(2-Furyl)-4H-1,2,4-Triazol-3-Yl]Sulfanyl}-1-(10H-Phenothiazin-10-Yl)Ethanone

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Properties Simple | Detailed

Formula C22H18N4O2S2
IUPAC Name 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone
Molecular Mass 434.534 g·mol−1
Heat of Formation 283.8 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 483.17 Å 3
Surface Area 418.38 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 10-({[4-ethyl-5-(2-furyl)-4h-1,2,4-triazol-3-yl]thio}acetyl)-10h-phenothiazine
  • cbkinase1_016237
  • pb-10685815
InChIKey ASZRHXKUEMHBKN-UHFFFAOYSA-N
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