KSH2210-02283743
41 43 0 0 0 0 0 0 0 0999 V2000
-2.7835 1.6788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9061 0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3992 0.4580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.1919 1.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1919 -0.2955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7835 -0.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0791 2.4162 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.7835 3.1571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1919 3.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1078 0.4580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3992 -1.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4151 1.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1216 -2.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8643 -0.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3682 -0.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3710 -3.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8643 -3.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3323 -2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1173 -2.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6434 5.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6381 -2.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1246 -4.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3337 -3.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4083 0.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6692 -0.3264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 -3.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8026 -1.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9628 -2.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5173 -2.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2382 4.9762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8243 5.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1114 5.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7411 -1.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2381 -2.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7435 -2.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6885 -4.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4244 -5.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6648 -5.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9656 -3.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7364 -3.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8417 -2.9613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 2 1 0 0 0 0
4 1 1 0 0 0 0
5 4 2 0 0 0 0
6 2 2 0 0 0 0
7 4 1 0 0 0 0
8 1 1 0 0 0 0
9 8 2 0 0 0 0
10 3 1 0 0 0 0
11 3 2 0 0 0 0
12 3 2 0 0 0 0
13 15 1 0 0 0 0
14 10 1 0 0 0 0
15 14 2 0 0 0 0
16 17 1 0 0 0 0
17 19 2 0 0 0 0
18 6 1 0 0 0 0
19 14 1 0 0 0 0
20 9 1 0 0 0 0
21 13 1 0 0 0 0
22 16 1 0 0 0 0
23 18 1 0 0 0 0
7 9 1 0 0 0 0
5 6 1 0 0 0 0
13 16 2 0 0 0 0
10 24 1 0 0 0 0
15 25 1 0 0 0 0
17 26 1 0 0 0 0
18 27 1 0 0 0 0
18 28 1 0 0 0 0
19 29 1 0 0 0 0
20 30 1 0 0 0 0
20 31 1 0 0 0 0
20 32 1 0 0 0 0
21 33 1 0 0 0 0
21 34 1 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
22 37 1 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
M END
>
KSH2210-02283743-01
>
Kishida2210
>
M810-1731
>
-
>
ChemDiv
>
KS151-4642658
>
C15H18N4O2S2
>
350.465
>
0
>
1
>
4
>
0
>
76.3600
>
-8.6693
>
-1.3568
>
-2.755
>
1.369
>
-5.224
>
CCc2nc3sc(nn3c2S(Nc1ccc(c(c1)C)C)(=O)=O)C
>
HTS2204-06365883
>
53152073
$$$$