4508255 -OEChem-05251313452D 73 78 0 0 0 0 0 0 0999 V2000 11.0534 0.3709 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 3.1819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7444 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5343 1.1799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -1.2688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7632 -0.7688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0044 1.6799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9507 1.9846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9507 0.3752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9711 0.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9656 0.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 1.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3723 -0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4656 1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3238 0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9418 2.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9637 2.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4656 1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7337 -2.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 2.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5891 2.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0534 1.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0044 0.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 3.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5343 1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9247 -2.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6473 -2.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5343 1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -3.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7518 -3.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0343 0.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0343 2.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9428 -4.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5343 1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0343 0.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0343 2.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0343 2.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0343 2.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9788 -0.7286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1556 1.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1322 0.1549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1334 3.2363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0482 1.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 4.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 4.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7906 2.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5487 2.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7180 1.5050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1956 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4602 2.7179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 3.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9014 2.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -2.5989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1489 -2.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 4.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 3.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5276 -4.2101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3182 -3.9168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7243 -0.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7243 2.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0076 -4.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3443 -0.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3443 2.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1419 2.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4517 2.2580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0343 1.4259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6543 2.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0343 2.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 26 1 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 25 2 0 0 0 0 4 38 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 21 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 28 2 0 0 0 0 9 26 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 14 43 1 0 0 0 0 15 19 2 3 0 0 0 15 44 1 0 0 0 0 16 20 2 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 19 25 1 0 0 0 0 20 47 1 0 0 0 0 21 29 2 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 27 32 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 31 1 0 0 0 0 29 33 1 0 0 0 0 29 57 1 0 0 0 0 30 34 2 0 0 0 0 30 58 1 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 37 2 0 0 0 0 33 62 1 0 0 0 0 34 37 1 0 0 0 0 34 63 1 0 0 0 0 35 39 1 0 0 0 0 35 64 1 0 0 0 0 36 40 2 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 41 42 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 M END > 4508255 > 1 > 923 > 7 > 0 > 10 > AAADceB/sABAAAAAAAAAAAAAAAAAAWLFgAAwYMAAAAAWAAAB9AAAHgQIAAAADAzh3wY/1pYIFAiqAzd3dACS3CtxorAfmCAubNiMLuLE+duGvCjsyRPI6YeQ0PMOoAABAAAQAABAAAIAACAAAAAAAAAAAA== > 5-[[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(4-ethoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6-one > 5-[[3-(4-butoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-(4-ethoxyphenyl)-6-thiazolo[3,2-b][1,2,4]triazolone > 5-[[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-ethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one > 5-[[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-(4-ethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one > 5-[[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-p-phenetyl-thiazolo[3,2-b][1,2,4]triazol-6-one > InChI=1S/C33H31N5O3S/c1-4-6-18-41-27-16-17-28(22(3)19-27)30-24(21-37(35-30)25-10-8-7-9-11-25)20-29-32(39)38-33(42-29)34-31(36-38)23-12-14-26(15-13-23)40-5-2/h7-17,19-21H,4-6,18H2,1-3H3 > MVKGBCQWYZCENC-UHFFFAOYSA-N > 7.9 > 577.214761 > C33H31N5O3S > 577.69594 > CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OCC)S3)C6=CC=CC=C6)C > CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OCC)S3)C6=CC=CC=C6)C > 109 > 577.214761 > 0 > 42 > 0 > 0 > 0 > 1 > 0 > 1 > 1 > 1 5 255 > 1 19 8 1 26 8 10 12 8 11 13 8 11 16 8 12 14 8 13 17 8 15 19 1 16 20 8 17 18 8 18 20 8 19 25 8 21 29 8 21 30 8 29 33 8 30 34 8 31 35 8 31 36 8 33 37 8 34 37 8 35 39 8 36 40 8 38 39 8 38 40 8 5 14 8 5 6 8 6 10 8 7 25 8 7 26 8 7 8 8 8 28 8 9 26 8 9 28 8 $$$$