RInChI=1.00.1S/C12H17NOS/c1-3-13(4-2)12(14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3<>C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3!C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2!CO/c1-2!S8/c1-2-4-6-8-7-5-3-1/d-
RAuxInfo=1.00.1/0/N:11,12,7,8,15,13,14,10,9,5,6,1,3,4,2/E:(1,2)(3,4)(6,7)(8,9)/rA:15nCSNOCCCCCCCCCCC/rB:s1;s1;d1;s2;s5;s3;s3;s6;d6;s7;s8;s10;d9;d13s14;/rC:6.4995,-.9132,0;7.2408,-1.3173,0;5.7672,-1.3151,0;6.4995,-.0915,0;7.8347,-.7346,0;8.6251,-1.036,0;5.7381,-2.1323,0;5.0706,-.8797,0;9.248,-.4979,0;8.7791,-1.8443,0;4.9544,-2.3779,0;4.4275,-1.3888,0;9.5584,-2.1144,0;10.0295,-.7725,0;10.1813,-1.5741,0;<>0/N:4,5,2,3,1/E:(1,2)(3,4)/rA:5nNCCCC/rB:s1;s1;s2;s3;/rC:-8.5447,-1.3821,0;-9.2592,-.9578,0;-7.8213,-.969,0;-9.9737,-1.3709,0;-7.1158,-1.3888,0;!0/N:8,6,7,4,5,3,2,1/E:(2,3)(4,5)/rA:8nBrCCCCCCC/rB:;s1s2;s2;d2;d4;s5;s6d7;/rC:.326,.2121,0;1.0941,-.9266,0;1.0941,-.096,0;1.8063,-1.3396,0;.3774,-1.3374,0;1.8063,-2.1635,0;.3751,-2.1635,0;1.0896,-2.5811,0;!0/N:2,1/CRV:1-1,2+1/rA:2nO+C-/rB:t1;/rC:-4.7982,-1.2503,0;-5.6243,-1.2503,0;!0/N:1,2,3,4,5,6,7,8/E:(1,2,3,4,5,6,7,8)/rA:8nSSSSSSSS/rB:s1;s1;s2;s3;s4;s5;s6s7;/rC:-3.2397,-1.583,0;-3.2397,-.7658,0;-2.6548,-2.1792,0;-2.6548,-.1786,0;-1.8242,-2.1792,0;-1.8242,-.1786,0;-1.2392,-1.583,0;-1.2392,-.7658,0;
Long-RInChIKey=SA-BUHFF-BKXRWLMGHBHCFY-UHFFFAOYSA-N--HPNMFZURTQLUMO-UHFFFAOYSA-N-AGEZXYOZHKGVCM-UHFFFAOYSA-N-UGFAIRIUMAVXCW-UHFFFAOYSA-N-JLQNHALFVCURHW-UHFFFAOYSA-N
Short-RInChIKey=SA-BUHFF-BKXRWLMGHB-YBJAEVKSZP-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=VQKJUKGWGYEYITGFK-NUHFFFADPSCTJSA
