12 11 0 0000 0 0 0 0 0999 V2000 8.0499 -2.0033 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 3.4460 -2.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.2974 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.5947 -1.3325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.1395 -2.0033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 6.8921 -1.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7434 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2974 -1.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.2304 -0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.5629 -0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.1894 -1.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 1 11 1 0 2 4 1 0 2 8 1 0 3 8 2 0 4 7 2 0 5 8 1 0 5 12 1 0 6 7 1 0 6 9 1 0 6 10 1 0 M END > InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+ > QGLZXHRNAYXIBU-WEVVVXLNSA-N > 1/1/N:9,10,12,11,7,8,6,5,4,3,2,1/E:(1,2)/rA:12nSOONNCCCCCCC/rB:;;s2;;s1;d4s6;s2d3s5;s6;s6;s1;s5;/rC:8.0499,-2.0033,0;3.446,-2.0033,0;2.2974,0,0;4.5947,-1.3325,0;1.1395,-2.0033,0;6.8921,-1.3325,0;5.7434,-2.0033,0;2.2974,-1.3325,0;6.2304,-.1838,0;7.5629,-.1838,0;9.1894,-1.3325,0;0,-1.3325,0; > C7 H14 N2 O2 S > 190.2633 > S(C)C(C)(C)/C=N/OC(NC)=O > 7844539 $$$$