Mrv1533004171507092D 18 19 0 0 0 0 999 V2000 3.2789 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4782 -0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 2.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 3.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 3.8754 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1191 4.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 5.4446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 4 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 3 0 0 0 0 10 18 1 0 0 0 0 2 18 1 0 0 0 0 6 18 1 0 0 0 0 M END > NP0178289 > NP-MRD > CC1CCCC2(C)CCC(C=C(C)CSC#N)C12 > InChI=1S/C16H25NS/c1-12(10-18-11-17)9-14-6-8-16(3)7-4-5-13(2)15(14)16/h9,13-15H,4-8,10H2,1-3H3 > DHYDUAYOJJKGRC-UHFFFAOYSA-N > C16H25NS > 263.44 > 263.170770983 > 1 > 43 > 31.82842374179865 > 1 > 0 > 0 > 1 > {[3-(3a,7-dimethyl-octahydro-1H-inden-1-yl)-2-methylprop-2-en-1-yl]sulfanyl}carbonitrile > 4.89 > 4.893745255 > -4.37 > 0 > 2 > 0 > 23.79 > 81.2357 > 3 > 1 > 1.12e-02 g/l > [3-(3a,7-dimethyl-octahydroinden-1-yl)-2-methylprop-2-en-1-yl]sulfanylcarbonitrile > 1 > NP0178289 > [3-(3a,7-dimethyl-octahydroinden-1-yl)-2-methylprop-2-en-1-yl]sulfanylcarbonitrile $$$$