null CDK 0224162158 null 40 44 0 0 0 0 0 0 0 0999 V2000 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -5.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -6.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -6.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -5.4349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8974 -6.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5619 -7.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 -8.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8673 -8.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2028 -7.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 -6.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 -8.8893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1727 -8.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6576 -9.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -10.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -10.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6274 -10.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9630 -10.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4781 -9.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8136 -8.6306 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8974 -6.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7179 -6.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1304 -6.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7948 -5.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9374 -6.2578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0236 -7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7381 -7.4908 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2699 -7.4138 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5505 -5.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3351 -5.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9482 -5.4087 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5613 -4.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5002 -6.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3962 -4.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 7 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 27 9 1 4 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 28 1 0 0 0 0 31 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 M END > CHEBI:94264 > 2-[5-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid > 2 > C28H22ClN3O5S3 > 612.144 > 611.04101 > 0 > C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)C=C5C(=O)N(C(=S)S5)CCS(=O)(=O)O > InChI=1S/C28H22ClN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36) > WILPFKVTYXJQQV-UHFFFAOYSA-N > LSM-4887 $$$$