HTS2204-02088551
50 54 0 0 0 0 0 0 0 0999 V2000
0.4625 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8458 1.9734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 2.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9640 3.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9640 0.7599 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7616 0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7616 -1.0266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0605 1.2234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7616 3.4734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7616 -4.0266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4276 4.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0605 2.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0605 -1.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 -1.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7616 -5.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8947 4.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4238 5.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 -3.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0605 -3.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3547 7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8875 7.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3584 6.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8182 8.8933 0.0000 CL 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 -6.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 -7.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8366 -5.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8366 -8.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1356 -6.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1356 -7.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5801 3.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2657 -1.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6514 -1.8808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1283 -1.8808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 -1.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3525 -5.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9668 -6.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2961 4.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1631 5.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 -3.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1283 -3.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6514 -3.1725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2657 -3.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4860 7.6007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9453 6.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9822 -8.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8366 -4.9266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8366 -9.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6553 -5.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6553 -8.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2812 -4.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 5 1 0 0 0 0
1 6 1 0 0 0 0
2 4 2 0 0 0 0
2 5 1 0 0 0 0
3 4 1 0 0 0 0
3 9 1 0 0 0 0
4 11 1 0 0 0 0
6 7 1 0 0 0 0
6 8 2 0 0 0 0
7 13 1 0 0 0 0
7 14 1 0 0 0 0
8 12 1 0 0 0 0
9 12 2 0 0 0 0
10 15 1 0 0 0 0
10 18 1 0 0 0 0
10 19 1 0 0 0 0
11 16 2 0 0 0 0
11 17 1 0 0 0 0
13 19 1 0 0 0 0
14 18 1 0 0 0 0
15 24 1 0 0 0 0
16 22 1 0 0 0 0
17 21 2 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
20 23 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
25 27 1 0 0 0 0
26 28 2 0 0 0 0
27 29 2 0 0 0 0
28 29 1 0 0 0 0
12 30 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 37 1 0 0 0 0
17 38 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
19 41 1 0 0 0 0
19 42 1 0 0 0 0
21 43 1 0 0 0 0
22 44 1 0 0 0 0
25 45 1 0 0 0 0
26 46 1 0 0 0 0
27 47 1 0 0 0 0
28 48 1 0 0 0 0
29 49 1 0 0 0 0
10 50 1 0 0 0 0
M END
>
HTS2204-02088551-01
>
Namiki2204
>
NS-013406660-0000
>
C22H20N5SCl
>
421.955
>
0
>
0
>
3
>
0
>
45.1500
>
-10.7737
>
-4.0097
>
-4.714
>
3.112
>
-4.741
>
c1cccc(CN3CCN(c4ncnc5c(c2ccc(cc2)[Cl])nsc54)CC3)c1
>
1462131
$$$$