N-(1,3-Benzodioxol-5-Yl)-2-{[5-(4-Methylphenyl)[1,3]Thiazolo[2,3-C][1,2,4]Triazol-3-Yl]Sulfanyl}Acetamide

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Properties Simple | Detailed

Formula C20H16N4O3S2
IUPAC Name n-(1,3-benzodioxol-5-yl)-2-[5-(p-tolyl)thiazolo[2,3-c][1,2,4]triazole-4,7-diium-3-yl]sulfanyl-acetamide
Molecular Mass 424.496 g·mol−1
Heat of Formation 58.7 ± 16.7 kJ·mol−1
Dipole Moment 8.45 ± 1.08 D
Volume 463.61 Å 3
Surface Area 405.62 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • bas 06591295
  • n-(1,3-benzodioxol-5-yl)-2-[5-(4-methylphenyl)thiazolo[3,2-d][1,2,4]triazol-3-yl]sulfanyl-acetamide
  • n-(1,3-benzodioxol-5-yl)-2-[[5-(4-methylphenyl)-3-thiazolo[3,2-d][1,2,4]triazolyl]thio]acetamide
  • n-(1,3-benzodioxol-5-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[3,2-d][1,2,4]triazol-3-yl]sulfanyl]acetamide
  • n-(1,3-benzodioxol-5-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[3,2-d][1,2,4]triazol-3-yl]sulfanyl]ethanamide
  • n-(1,3-benzodioxol-5-yl)-2-[[5-(4-methylphenyl)thiazolo[3,2-d][1,2,4]triazol-3-yl]thio]acetamide
  • t0513-5369
InChIKey XYXNYQAJSYUYNZ-UHFFFAOYSA-N
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