6833 -OEChem-10051719373D 40 41 0 1 0 0 0 0 0999 V2000 -3.1973 -0.0535 1.0835 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7151 -2.3733 -1.3174 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4599 1.3128 -0.0578 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5794 0.5532 -0.9520 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8563 0.9598 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1023 1.0643 1.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1336 0.9189 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 0.8323 -2.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8709 0.1155 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1112 -0.5085 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 1.8852 2.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1922 0.6493 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5601 -1.2708 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7738 1.6843 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 -1.8349 1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0993 1.9187 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0612 -3.2364 0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4568 1.0444 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -3.6613 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6964 -0.5206 -0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1719 1.2006 -1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5290 1.5772 0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0808 1.4130 1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 0.0100 1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0783 1.9744 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0738 1.9046 -2.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8666 0.3142 -2.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1641 0.4735 -3.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9184 -0.8004 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5943 -1.1971 -0.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1799 -0.7028 -0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 1.4823 2.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0296 2.9326 1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5245 1.8753 3.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3105 2.2589 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 -1.2974 2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7581 2.6878 -0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -3.8993 1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3977 0.9973 1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1425 -4.6665 -0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 20 1 0 0 0 0 5 10 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 11 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 2 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 13 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 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 19 2 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 M END > DB01533 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CBYWMRHUUVRIAF-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC)C(C)C=C(C1=CC=CS1)C1=CC=CS1 > InChI=1S/C16H21NS2/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16/h6-13H,4-5H2,1-3H3 > CBYWMRHUUVRIAF-UHFFFAOYSA-N > C16H21NS2 > 291.475 > 291.111541057 > 1 > 40 > 0.9939997217424779 > 33.69012171588281 > 1 > 0 > 0 > 1 > [4,4-bis(thiophen-2-yl)but-3-en-2-yl]diethylamine > 5.15 > 4.913710514 > -3.73 > 0 > 1 > 2 > 1 > 9.219214871954446 > 3.24 > 96.16780000000003 > 6 > 1 > 5.39e-02 g/l > biotin > 1 $$$$