N-(3,5-Dimethylphenyl)-2-{[5-(4-Ethylphenyl)-1H-1,2,4-Triazol-3-Yl]Sulfanyl}Acetamide

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Formula C20H22N4OS
IUPAC Name n-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]acetamide
Molecular Mass 366.480 g·mol−1
Heat of Formation 76.1 ± 16.7 kJ·mol−1
Dipole Moment 7.69 ± 1.08 D
Volume 448.33 Å 3
Surface Area 367.92 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • n-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-1h-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • n-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-1h-1,2,4-triazol-3-yl]sulfanyl]ethanamide
  • n-(3,5-dimethylphenyl)-2-[[5-(4-ethylphenyl)-1h-1,2,4-triazol-3-yl]thio]acetamide
InChIKey PSJVIOBOAOSNIY-UHFFFAOYSA-N
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