20 21 0 0000 0 0 0 0 0999 V2000 5.4921 -1.0259 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 4.6919 3.7168 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 5.8144 0.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.3046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.9230 -0.7168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.4131 1.9568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 6.0009 2.7658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2321 0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5411 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.2321 0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.8198 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.6443 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.0009 2.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.5009 4.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3099 3.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7965 2.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 2 17 1 0 2 18 1 0 3 15 2 0 4 5 1 0 4 8 1 0 4 12 1 0 5 13 2 0 6 15 1 0 6 17 1 0 6 20 1 0 7 17 2 0 7 19 1 0 8 9 1 0 9 10 1 0 10 14 1 0 11 12 2 0 11 13 1 0 11 15 1 0 13 16 1 0 18 19 1 0 M END > 11 12 8 11 13 8 4 12 8 4 5 8 5 13 8 > InChI=1S/C12H17ClN4OS/c1-3-4-6-17-10(13)9(8(2)16-17)11(18)15-12-14-5-7-19-12/h3-7H2,1-2H3,(H,14,15,18) > GRPWZMJACMCYRF-UHFFFAOYSA-N > 1/1/N:14,16,10,9,19,8,18,13,11,12,15,17,1,7,6,5,4,3,2/rA:36nClSONNNNCCCCCCCCCCCCHHHHHHHHHHHHHHHHH/rB:;;;s4;;;s4;s8;s9;;s1s4d11;d5s11;s10;d3s6s11;s13;s2s6d7;s2;s7s18;s8;s8;s9;s9;s10;s10;s14;s14;s14;s16;s16;s16;s6;s18;s18;s19;s19;/rC:5.4921,-1.0259,0;4.6919,3.7168,0;5.8144,.9387,0;3.7321,-1.3046,0;2.923,-.7168,0;4.4131,1.9568,0;6.0009,2.7658,0;3.7321,-2.3046,0;2.866,-2.8046,0;2.866,-3.8046,0;4.2321,.2342,0;4.5411,-.7168,0;3.2321,.2342,0;2,-4.3046,0;4.8198,1.0432,0;2.6443,1.0432,0;5.0009,2.7658,0;5.5009,4.3046,0;6.3099,3.7168,0;3.9441,-2.8872,0;4.3426,-2.197,0;2.654,-2.222,0;2.2554,-2.9123,0;3.0781,-4.3872,0;3.4766,-3.697,0;1.4631,-4.6146,0;2.31,-4.8416,0;1.69,-3.7677,0;3.1459,1.4077,0;2.2798,1.5448,0;2.1427,.6788,0;3.7965,2.0216,0;5.9157,4.7654,0;5.086,4.7654,0;6.8763,3.4647,0;6.6199,4.2538,0; > C12 H17 Cl N4 O S > 300.8076 > ClC1=C(C(N([H])C2=NC([H])([H])C([H])([H])S2)=O)C(C([H])([H])[H])=NN1C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > 7458398 $$$$