4-[4-(4-Methoxyphenyl)-5-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]th...
C24H20N6O2S
863405-60-1 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  33 37 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 8.2356 5.7494 0.0 0
M  V30 2 C 9.6426 6.3758 0.0 0
M  V30 3 O 3.6216 0.3202 0.0 0
M  V30 4 C 2.1152 0.0000 0.0 0
M  V30 5 C 19.4182 4.7005 0.0 0
M  V30 6 N 5.5252 6.1786 0.0 0
M  V30 7 C 4.6200 7.4246 0.0 0
M  V30 8 C 6.9898 6.6546 0.0 0
M  V30 9 N 5.5252 8.6705 0.0 0
M  V30 10 N 6.9898 8.1947 0.0 0
M  V30 11 C 5.0492 4.7141 0.0 0
M  V30 12 C 3.5429 4.3939 0.0 0
M  V30 13 C 6.0798 3.5696 0.0 0
M  V30 14 C 3.0671 2.9292 0.0 0
M  V30 15 C 5.6039 2.1050 0.0 0
M  V30 16 C 4.0975 1.7849 0.0 0
M  V30 17 C 3.0800 7.4246 0.0 0
M  V30 18 C 2.3100 8.7583 0.0 0
M  V30 19 C 2.3100 6.0909 0.0 0
M  V30 20 C 0.7700 8.7583 0.0 0
M  V30 21 C 0.7700 6.0909 0.0 0
M  V30 22 N 0.0000 7.4246 0.0 0
M  V30 23 C 10.8884 5.4705 0.0 0
M  V30 24 N 12.3530 5.9464 0.0 0
M  V30 25 O 10.8884 3.9305 0.0 0
M  V30 26 C 13.2582 4.7005 0.0 0
M  V30 27 N 12.3530 3.4547 0.0 0
M  V30 28 C 14.7982 4.7005 0.0 0
M  V30 29 C 15.5682 3.3669 0.0 0
M  V30 30 C 15.5682 6.0343 0.0 0
M  V30 31 C 17.1082 3.3669 0.0 0
M  V30 32 C 17.1082 6.0343 0.0 0
M  V30 33 C 17.8782 4.7005 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 8
M  V30 3 1 2 23
M  V30 4 1 3 4
M  V30 5 1 3 16
M  V30 6 1 5 33
M  V30 7 1 6 7
M  V30 8 1 6 8
M  V30 9 1 6 11
M  V30 10 2 7 9
M  V30 11 1 7 17
M  V30 12 2 8 10
M  V30 13 1 9 10
M  V30 14 2 11 12
M  V30 15 1 11 13
M  V30 16 1 12 14
M  V30 17 2 13 15
M  V30 18 2 14 16
M  V30 19 1 15 16
M  V30 20 1 17 18
M  V30 21 2 17 19
M  V30 22 2 18 20
M  V30 23 1 19 21
M  V30 24 1 20 22
M  V30 25 2 21 22
M  V30 26 2 23 24
M  V30 27 1 23 25
M  V30 28 1 24 26
M  V30 29 1 25 27
M  V30 30 2 26 27
M  V30 31 1 26 28
M  V30 32 2 28 29
M  V30 33 1 28 30
M  V30 34 1 29 31
M  V30 35 2 30 32
M  V30 36 2 31 33
M  V30 37 1 32 33
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
863405-60-1

> <cas.index.name>
Pyridine, 4-[4-(4-methoxyphenyl)-5-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thio]-4H-1,2,4-triazol-3-yl]-

> <molecular.formula>
C24H20N6O2S

> <molecular.weight>
456.52

> <boiling.point.predicted>
699.4±65.0 °C    Press: 760 Torr

> <density.predicted>
1.35±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
1.63±0.10    Most Basic Temp: 25 °C

$$$$
