1-[6-(2-Chlorophenyl)-1-Methyl-7,10-Dihydro-4H-Pyrido[4',3':4,5]Thieno[3,2-F][1,2,4]Triazolo[4,3-A][1,4]Diazepin-9(8H)-Yl]-2-[(3,4-Dimethoxyphenyl)Sulfanyl]Ethanethione

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Properties Simple | Detailed

Formula C21H17ClN5O2S3
IUPAC Name 1-[6-(2-chlorophenyl)-1-methyl-7,10-dihydro-4h-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8h)-yl]-2-[(3,4-dimethoxyphenyl)sulfanyl]ethanethione
Molecular Mass 503.040 g·mol−1
Heat of Formation 3911.3 ± 16.7 kJ·mol−1
Dipole Moment 12.79 ± 1.08 D
Volume 528.67 Å 3
Surface Area 395.38 Å 2
HOMO Energy -7.57 ± 0.55 eV
LUMO Energy -2.73 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 6-(2-chlorophenyl)-9-(2-((3,4-dimethoxyphenyl)thio)-1-thioxoethyl)-7,8,9,10-tetrahydro-1-methyl-
  • bn 50739
  • bn-50739
  • tetrahydro-4,7,8,10 methyl-(chloro-2-phenyl)-6-((3,4-dimethoxyphenyl)thio)methylthiocarbonyl-9-pyrido(4',3'-4,5)thieno(3,2-f)triazolo-1,2,4(4,3-a)diazepine-1,4
CAS Number(s)
  • 128672-07-1
InChIKey MRVWRDZEYURFSW-UHFFFAOYSA-N
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