Ketcher 01232011572D 1 1.00000 0.00000 0 42 46 0 0 0 999 V2000 6.7868 -15.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3747 -14.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3746 -16.5195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3257 -15.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3257 -16.2106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7868 -15.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2868 -16.5764 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2870 -14.8443 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1348 -14.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0302 -13.6283 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0483 -15.0297 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1348 -16.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0302 -17.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1166 -18.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8391 -18.3807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7527 -17.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7346 -19.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5617 -18.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5435 -19.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4571 -19.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2661 -20.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2171 -19.8353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2660 -21.1443 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.8048 -20.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2172 -21.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8048 -20.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3926 -19.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3926 -21.4534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3437 -20.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3437 -21.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1526 -19.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0480 -18.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0662 -19.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8571 -17.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8752 -19.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7706 -18.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1345 -18.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1709 -20.9577 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.0299 -17.1608 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.1164 -16.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4366 -16.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0244 -17.0563 0.0000 O 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 M END > CHEBI:145867 > 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 > A member of the class of 1,3-thiazoles that is 4-(1,3-thiazol-2-yl)piperidine in which the piperidine amino group is substituted by a [3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl group and position 4 of the thiazole ring is substituted by a 5-{2-chloro-6-[(methylsulfonyl)oxy]phenyl}-4,5-dihydro-1,2-oxazol-3-yl group. > 3 > 2-{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=4CC(ON4)C=5C(=CC=CC5Cl)OS(C)(=O)=O)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 > ZEXXEODAXHSRDJ-UHFFFAOYSA-N $$$$