3-[(4-Fluorophenyl)Sulfanyl]-N-(4-Methyl-1,3-Thiazol-2-Yl)-6-[(4-Methyl-4H-1,2,4-Triazol-3-Yl)Sulfanyl]-2-Pyridinecarboxamide

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Properties Simple | Detailed

Formula C19H15FN6OS3
IUPAC Name 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-2-aza-4-azonia-1-azanidacyclopenta-2,4-dien-3-yl)sulfanyl]-n-(4-methylthiazol-2-yl)pyridine-2-carboxamide
Molecular Mass 458.555 g·mol−1
Heat of Formation 261.9 ± 16.7 kJ·mol−1
Dipole Moment 8.88 ± 1.08 D
Volume 489.29 Å 3
Surface Area 427.15 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-fluorophenyl)sulfanyl-n-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
  • 3-(4-fluorophenyl)sulfanyl-n-(4-methylthiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
  • 3-[(4-fluorophenyl)thio]-n-(4-methyl-2-thiazolyl)-6-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-pyridinecarboxamide
  • 3-[(4-fluorophenyl)thio]-n-(4-methylthiazol-2-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)thio]picolinamide
InChIKey SJTQKYKXCYVFHX-UHFFFAOYSA-N
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