2662 Marvin 12300703363D 40 42 0 0 0 0 999 V2000 -1.3539 -4.8901 -0.0583 S 0 0 1 0 0 0 0 0 0 0 0 0 5.7805 0.9999 1.0821 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7016 1.2136 -1.1373 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3968 2.9809 0.1632 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6775 -5.2621 1.4539 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 -6.1008 -0.6807 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 0.0922 -0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 0.0671 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -4.7443 -0.8753 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4537 1.3729 0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 -1.0792 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1249 1.8977 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6174 2.1450 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7108 1.3004 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4951 -2.1502 0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1576 -1.2496 -1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3665 -3.4551 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1669 3.2209 -0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9664 1.1373 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7193 -3.3232 0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6279 -2.4173 -1.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5631 2.9233 0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 3.7289 -0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 1.6227 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1457 1.6351 0.0447 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9605 3.4071 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 3.1588 0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2653 -2.0760 1.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0533 -0.5113 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5686 3.8478 -0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8312 0.2048 1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9518 -4.0700 1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3943 -2.4918 -1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6304 4.6908 -0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0457 1.0148 0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5376 2.7677 -0.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4179 3.3804 1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0399 4.4295 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7851 -4.3829 -1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5753 -5.0359 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 14 2 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 25 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 21 2 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 23 1 0 0 0 0 18 30 1 0 0 0 0 19 24 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 M END > 10 13 8 11 15 8 11 16 8 12 18 8 12 19 8 13 14 8 15 20 8 16 21 8 17 20 8 17 21 8 18 23 8 19 24 8 22 23 8 22 24 8 7 10 8 7 8 8 8 14 8 > InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) > RZEKVGVHFLEQIL-UHFFFAOYSA-N > 1/1/N:26,23,24,18,19,15,16,20,21,13,22,12,11,17,10,14,25,2,3,4,9,8,7,5,6,1/E:(2,3)(4,5)(6,7)(8,9)(18,19,20)(24,25)/CRV:26.6/rA:40nSFFFOONNNCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHH/rB:;;;d1;d1;;s7;s1;s7;s7;s10;d10;d8s13;d11;s11;s1;d12;s12;s15d17;d16s17;;s18d22;d19s22;s2s3s4s14;s22;s13;s15;s16;s18;s19;s20;s21;s23;s24;s26;s26;s26;s9;s9;/rC:-1.3539,-4.8901,-.0583;5.7805,.9999,1.0821;5.7016,1.2136,-1.1373;5.3968,2.9809,.1632;-1.6775,-5.2621,1.4539;-.5343,-6.1008,-.6807;1.9009,.0922,-.0012;3.1996,.0671,-.037;-2.777,-4.7443,-.8753;1.4537,1.3729,.1334;1.2028,-1.0792,-.1001;.1249,1.8977,.2194;2.6174,2.145,.1807;3.7108,1.3004,.0625;1.4951,-2.1502,.7758;.1576,-1.2496,-1.0369;-.3665,-3.4551,-.1202;-.1669,3.2209,-.2005;-.9664,1.1373,.707;.7193,-3.3232,.7687;-.6279,-2.4173,-1.0389;-2.5631,2.9233,.1996;-1.4783,3.7289,-.2044;-2.2868,1.6227,.672;5.1457,1.6351,.0447;-3.9605,3.4071,.1312;2.677,3.1588,.2913;2.2653,-2.076,1.4451;-.0533,-.5113,-1.713;.5686,3.8478,-.5327;-.8312,.2048,1.0997;.9518,-4.07,1.4282;-1.3943,-2.4918,-1.7111;-1.6304,4.6908,-.5191;-3.0457,1.0148,.9926;-4.5376,2.7677,-.5396;-4.4179,3.3804,1.1214;-4.0399,4.4295,-.244;-2.7851,-4.3829,-1.7375;-3.5753,-5.0359,-.4849; > C17 H14 F3 N3 O2 S > 381.3722 > S(C1C([H])=C([H])C(=C([H])C=1[H])N1C(=C([H])C(C(F)(F)F)=N1)C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])(N([H])[H])(=O)=O > 2562 $$$$