Ketcher 01232014002D 1 1.00000 0.00000 0 43 47 0 1 0 999 V2000 10.2791 -8.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8667 -8.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8666 -9.6904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 -8.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 -9.3818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2797 -8.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7800 -9.7473 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7802 -8.0162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.6258 -7.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5213 -6.8009 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.5388 -8.2015 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.6258 -9.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5213 -10.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6082 -11.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3297 -11.5506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2428 -11.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2253 -12.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0514 -11.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0337 -13.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9468 -12.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7553 -13.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7058 -13.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7552 -14.3126 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.2931 -13.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7059 -14.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2926 -13.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8801 -13.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8801 -14.6215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8306 -13.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8306 -14.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6390 -12.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5345 -11.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5521 -13.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3432 -11.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3607 -12.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2562 -11.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6215 -11.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6568 -14.1261 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19.5170 -10.3314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.6040 -9.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9234 -9.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5109 -10.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7116 -12.2941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 2 4 2 0 0 0 3 5 1 0 0 0 4 5 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 1 6 1 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 4 9 1 0 0 0 5 12 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 22 24 1 0 0 0 23 25 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 31 32 1 0 0 0 31 33 2 0 0 0 32 34 2 0 0 0 33 35 1 0 0 0 34 36 1 0 0 0 35 36 2 0 0 0 32 37 1 0 0 0 33 38 1 0 0 0 37 39 1 0 0 0 39 40 1 0 0 0 39 41 2 0 0 0 39 42 2 0 0 0 29 43 1 1 0 0 M END > CHEBI:145868 > (R)-fluoxapiprolin > A 2-[(ethanesulfonyl)amino]-5-fluoro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]benzene-1-carbothioamide that has (R)-configuration. > 3 > 2-{(5R)-3-[2-(1-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazol-4-yl]-4,5-dihydro-1,2-oxazol-5-yl}-3-chlorophenyl methanesulfonate > C25H24ClF4N5O5S2 > 650.060 > 649.08435 > 0 > C=1(C=C(N(N1)CC(=O)N2CCC(CC2)C3=NC(=CS3)C=4C[C@@](ON4)(C=5C(=CC=CC5Cl)OS(C)(=O)=O)[H])C(F)F)C(F)F > InChI=1S/C25H24ClF4N5O5S2/c1-42(37,38)40-19-4-2-3-14(26)22(19)20-10-15(33-39-20)17-12-41-25(31-17)13-5-7-34(8-6-13)21(36)11-35-18(24(29)30)9-16(32-35)23(27)28/h2-4,9,12-13,20,23-24H,5-8,10-11H2,1H3/t20-/m1/s1 > ZEXXEODAXHSRDJ-HXUWFJFHSA-N $$$$