1-Ethyl-3-{2-[(3-Isopropyl[1,2,4]Triazolo[4,3-A]Pyridin-6-Yl)Sulfanyl]Benzyl}Urea

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Properties Simple | Detailed

Formula C19H24N5OS+
IUPAC Name 1-ethyl-3-[[2-[(9-isopropyl-8-aza-1-azonia-7-azanidabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-3-yl)sulfanyl]phenyl]methyl]urea
Molecular Mass 370.492 g·mol−1
Heat of Formation 138.6 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 447.31 Å 3
Surface Area 400.19 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ethyl-1-[2-[(3-isopropyl-[1,2,4]triazolo[3,4-f]pyridin-6-yl)thio]benzyl]urea
  • 3-ethyl-1-[[2-[(3-isopropyl-[1,2,4]triazolo[3,4-f]pyridin-6-yl)sulfanyl]phenyl]methyl]urea
  • 3-ethyl-1-[[2-[(3-isopropyl-[1,2,4]triazolo[3,4-f]pyridin-6-yl)thio]phenyl]methyl]urea
InChIKey PHHKWHBPRKFKKF-UHFFFAOYSA-N
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