46424 -OEChem-10051719363D 37 38 0 1 0 0 0 0 0999 V2000 -2.9692 0.0518 1.0842 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 -2.3769 -1.3180 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7434 1.1622 -0.0590 N 0 0 1 0 0 0 0 0 0 0 0 0 1.8293 0.4432 -0.9530 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4015 0.8736 -0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3755 0.9298 1.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2141 0.7054 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 0.1161 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1224 0.7468 -0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2754 1.7109 2.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9339 0.7089 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3899 -1.2829 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 1.7692 -0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 -1.8653 1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 2.0629 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1426 -3.2746 0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1781 1.2053 0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1508 -3.6864 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -0.6343 -0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2373 1.9376 -0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 1.2796 1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4217 -0.1344 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.7724 -2.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1123 0.1560 -2.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.3687 -3.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 0.9921 -1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2712 -0.3268 -0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8339 1.2896 0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2714 1.2677 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3772 2.7569 1.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8402 1.7095 3.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 2.3225 -1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1803 -1.3350 2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4057 2.8610 -0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 -3.9518 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 1.2005 1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 -4.6937 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 19 1 0 0 0 0 5 8 2 0 0 0 0 5 20 1 0 0 0 0 6 10 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 M END > DB01468 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MORSAEFGQPDBKM-UHFFFAOYSA-N/SDF?record_type=3d > CCN(C)C(C)C=C(C1=CC=CS1)C1=CC=CS1 > InChI=1S/C15H19NS2/c1-4-16(3)12(2)11-13(14-7-5-9-17-14)15-8-6-10-18-15/h5-12H,4H2,1-3H3 > MORSAEFGQPDBKM-UHFFFAOYSA-N > C15H19NS2 > 277.448 > 277.095890993 > 1 > 37 > 0.9887187729097668 > 31.01812774409736 > 1 > 0 > 0 > 1 > [4,4-bis(thiophen-2-yl)but-3-en-2-yl](ethyl)methylamine > 4.61 > 4.556902559333333 > -3.61 > 0 > 1 > 2 > 1 > 8.942716438603346 > 3.24 > 91.41920000000002 > 5 > 1 > 6.75e-02 g/l > biotin > 1 $$$$