HMDB0257273 RDKit 3D 5-(3-(4-(2-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)... 59 65 0 0 0 0 0 0 0 0999 V2000 4.1155 -3.5881 -3.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0887 -3.1420 -2.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4149 -3.3399 -2.2361 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8743 -2.7772 -1.0919 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8845 -2.2442 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7643 -2.4697 -1.1894 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -2.1060 -0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9962 -2.9416 -1.3013 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8696 -1.9475 -0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5778 -2.0912 -0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7668 -2.2171 -0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2409 -2.3663 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7776 -1.1153 0.1292 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9929 -0.8971 1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7036 -1.8328 2.2585 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 0.2824 1.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7093 0.4644 3.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2219 1.6411 3.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5383 2.6582 2.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3408 2.4930 1.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8282 1.3168 1.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6097 1.1004 -0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9124 2.0989 -1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6903 1.8836 -2.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1752 0.6866 -2.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8723 -0.3143 -2.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0875 -0.1206 -0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 -0.9884 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0017 -1.0506 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8999 -0.0042 0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4849 1.3339 0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2777 2.1045 1.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0834 3.4472 1.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0829 4.1041 1.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2939 3.3904 0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 2.0074 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5889 1.3189 -1.3406 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1184 -0.3248 0.8293 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8802 -1.5431 0.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6012 -2.7095 -3.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4194 -4.3253 -2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6487 -4.0993 -4.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -3.1459 0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6583 -2.8128 -1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4787 -0.3047 4.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3765 1.7669 4.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9455 3.5835 3.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6008 3.3099 0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3153 3.0556 -0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9201 2.6607 -3.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0005 0.5158 -4.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4573 -1.2686 -2.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 -0.2316 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 1.6368 2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7294 3.9948 2.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9524 5.1645 1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4974 3.8845 -0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9297 -1.3717 1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4277 -2.2135 1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 3 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 9 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 30 38 2 0 38 39 1 0 6 2 1 0 29 7 2 0 36 31 1 0 39 5 1 0 27 13 1 0 21 16 1 0 27 22 1 0 1 40 1 0 1 41 1 0 1 42 1 0 12 43 1 0 12 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 23 49 1 0 24 50 1 0 25 51 1 0 26 52 1 0 28 53 1 0 32 54 1 0 33 55 1 0 34 56 1 0 35 57 1 0 39 58 1 0 39 59 1 0 M END