HMDB0257952 RDKit 3D 2-Benzyl-5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one 48 51 0 0 0 0 0 0 0 0999 V2000 5.8644 2.3266 -1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 3.0200 0.2048 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4354 2.0067 0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3039 2.3459 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1694 1.5639 -0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1251 0.4540 0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0908 -0.3164 0.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 0.2360 1.2161 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3735 -0.4189 1.3354 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5538 0.2500 1.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3563 0.9244 0.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3934 0.2205 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1439 0.8410 -0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8615 2.1233 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8090 2.8037 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0473 2.2095 0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -1.7002 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4746 -2.3333 1.0446 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2662 -2.3142 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0756 -1.6293 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 -2.1743 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8028 -3.2336 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9762 -3.7592 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5599 -3.2340 -1.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0543 -3.9303 -1.8438 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9484 -2.1785 -1.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7765 -1.6769 -1.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 0.1139 1.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4254 0.8945 1.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9336 1.2315 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 2.4601 -2.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8614 2.8009 -1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3245 3.2273 -0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 1.8589 -0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2196 1.0245 2.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2212 -0.4273 2.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6661 -0.7946 0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9558 0.3069 -1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4443 2.6249 -1.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6041 3.8179 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2147 2.7617 0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2739 -3.3610 0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3872 -3.6782 1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 -4.5911 0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -1.7541 -2.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3048 -0.8494 -1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 -0.7469 1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3354 0.6530 1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 9 17 1 0 17 18 2 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 6 28 1 0 28 29 2 0 29 3 1 0 20 7 1 0 27 21 1 0 16 11 1 0 1 30 1 0 1 31 1 0 1 32 1 0 4 33 1 0 5 34 1 0 10 35 1 0 10 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 19 42 1 0 22 43 1 0 23 44 1 0 26 45 1 0 27 46 1 0 28 47 1 0 29 48 1 0 M END