46902870 -OEChem-05132405572D 67 71 0 1 0 0 0 0 0999 V2000 3.9890 -6.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -3.1866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 -3.1866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -2.2355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 3.8911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 3.8911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -5.7182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1701 -4.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -3.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -5.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -2.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -7.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -7.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0911 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 1.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3479 -2.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 1.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 2.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2531 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 4.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 5.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 5.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 6.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 6.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 7.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 7.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 -5.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6008 -5.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6841 -4.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3327 -3.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 -4.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 -5.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 -5.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2304 -8.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 -7.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 -7.4862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -7.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3821 -1.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6025 -1.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -0.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 -0.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9331 -2.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8872 -3.0105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7628 -3.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5176 1.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7206 1.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 1.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9431 1.3892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7161 0.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5631 0.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4525 2.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 5.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3327 4.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 5.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9657 6.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 6.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 7.8378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 8.0071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 23 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 49 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 25 2 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 27 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 26 28 2 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 34 2 0 0 0 0 32 64 1 0 0 0 0 33 35 2 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > 46902870 > 1 > 635 > 6 > 0 > 9 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAWLAAAA0YIAAAAAAAAAB9AAAHgAIAAAADBzhngY+gJIIBACiAzRnRACCBAQxkgAY2CA4dJgJYKLAkRGWIAhmgADKyAcwgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA== > 4-[4-(1-benzyltriazol-4-yl)-3-ethyl-phenyl]-1-[2-(1,4-dioxan-2-yl)ethyl]-5-ethyl-triazole > 1-[2-(1,4-dioxan-2-yl)ethyl]-5-ethyl-4-[3-ethyl-4-[1-(phenylmethyl)-4-triazolyl]phenyl]triazole > 4-[4-(1-benzyltriazol-4-yl)-3-ethylphenyl]-1-[2-(1,4-dioxan-2-yl)ethyl]-5-ethyltriazole > 4-[4-(1-benzyltriazol-4-yl)-3-ethylphenyl]-1-[2-(1,4-dioxan-2-yl)ethyl]-5-ethyltriazole > 1-[2-(1,4-dioxan-2-yl)ethyl]-5-ethyl-4-[3-ethyl-4-[1-(phenylmethyl)-1,2,3-triazol-4-yl]phenyl]-1,2,3-triazole > 4-[4-(1-benzyltriazol-4-yl)-3-ethyl-phenyl]-1-[2-(1,4-dioxan-2-yl)ethyl]-5-ethyl-triazole > InChI=1S/C27H32N6O2/c1-3-21-16-22(27-26(4-2)33(31-29-27)13-12-23-19-34-14-15-35-23)10-11-24(21)25-18-32(30-28-25)17-20-8-6-5-7-9-20/h5-11,16,18,23H,3-4,12-15,17,19H2,1-2H3 > LJBZTWYIOMDNMZ-UHFFFAOYSA-N > 3.8 > 472.25867428 > C27H32N6O2 > 472.6 > CCC1=C(C=CC(=C1)C2=C(N(N=N2)CCC3COCCO3)CC)C4=CN(N=N4)CC5=CC=CC=C5 > CCC1=C(C=CC(=C1)C2=C(N(N=N2)CCC3COCCO3)CC)C4=CN(N=N4)CC5=CC=CC=C5 > 79.9 > 472.25867428 > 0 > 35 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 15 8 18 20 8 18 22 8 19 20 8 19 21 8 21 25 8 22 25 8 26 28 8 3 13 8 3 4 8 30 31 8 30 32 8 31 33 8 32 34 8 33 35 8 34 35 8 4 5 8 5 15 8 6 28 8 6 8 8 7 26 8 7 8 8 9 10 3 $$$$