-ISIS- 08251614012D 39 44 0 0 0 0 0 0 0 0999 V2000 0.3667 1.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3667 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 1.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9792 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6667 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8958 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 -1.6708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5875 -0.0875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6792 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8917 2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2833 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1583 2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5417 2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5542 2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9042 1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9083 0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 3.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1167 -3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 -3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4208 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8125 4.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4208 4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1542 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 12 2 0 0 0 0 7 13 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 10 14 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 8 2 0 0 0 0 14 7 2 0 0 0 0 15 9 1 0 0 0 0 16 12 1 0 0 0 0 17 5 2 0 0 0 0 18 10 1 0 0 0 0 19 15 2 0 0 0 0 20 15 1 0 0 0 0 21 16 2 0 0 0 0 22 16 1 0 0 0 0 23 24 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 21 1 0 0 0 0 27 22 2 0 0 0 0 28 20 2 0 0 0 0 29 19 1 0 0 0 0 30 25 1 0 0 0 0 31 23 1 0 0 0 0 32 18 2 0 0 0 0 33 18 1 0 0 0 0 34 30 1 0 0 0 0 35 31 1 0 0 0 0 36 31 1 0 0 0 0 37 33 2 0 0 0 0 38 32 1 0 0 0 0 39 37 1 0 0 0 0 9 3 1 0 0 0 0 11 8 1 0 0 0 0 25 29 2 0 0 0 0 10 6 1 0 0 0 0 24 26 2 0 0 0 0 39 38 2 0 0 0 0 M END > (STK813036) STK813036 > (STK813036) 2 > (STK813036) 7.987 > (STK813036) 109.36 > (STK813036) 0 > (STK813036) 3 > (STK813036) 6 > (STK813036) (5Z)-2-(4-methoxyphenyl)-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one > (STK813036) 535.63 > (STK813036) C30H25N5O3S > (STK813036) COc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)OC(C)C)c1ccccc1)/s2 $$$$