HTS2204-00598673
39 42 0 0 0 0 0 0 0 0999 V2000
-1.1881 1.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0255 0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1881 3.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4016 0.6311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4521 1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4381 -0.7956 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.4870 3.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1110 3.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9381 -0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7639 2.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5668 0.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4870 5.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1110 5.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8198 -2.0090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1904 3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9933 0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1881 6.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2096 -3.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3052 2.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0914 -4.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7179 -3.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6278 -6.0194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.5914 -4.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8414 -6.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0548 -6.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8414 -8.4012 0.0000 CL 0 0 0 0 0 0 0 0 0 0 0 0
-3.0066 3.4628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6306 3.4628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3180 2.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4421 -0.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0066 5.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6306 5.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4165 -1.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3152 3.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4392 0.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1882 6.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8758 2.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9441 -4.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6255 -6.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
3 7 1 0 0 0 0
3 8 2 0 0 0 0
4 9 2 0 0 0 0
5 10 2 0 0 0 0
5 11 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 0 0 0 0
9 14 1 0 0 0 0
10 15 1 0 0 0 0
11 16 2 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
15 19 2 0 0 0 0
18 20 1 0 0 0 0
18 21 2 0 0 0 0
20 22 1 0 0 0 0
20 23 2 0 0 0 0
22 24 1 0 0 0 0
23 25 1 0 0 0 0
24 26 1 0 0 0 0
6 9 1 0 0 0 0
13 17 2 0 0 0 0
16 19 1 0 0 0 0
24 25 2 0 0 0 0
7 27 1 0 0 0 0
8 28 1 0 0 0 0
10 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
16 35 1 0 0 0 0
17 36 1 0 0 0 0
19 37 1 0 0 0 0
23 38 1 0 0 0 0
25 39 1 0 0 0 0
M END
>
HTS2204-00598673-01
>
Namiki2204
>
NS-005951121-0000
>
C20H13N2OS2Cl
>
396.920
>
0
>
1
>
2
>
0
>
41.9900
>
-8.3834
>
-1.2022
>
-5.111
>
3.494
>
-5.557
>
[Cl]c3ccc(C(Nc4nc(c(c2ccccc2)s4)c1ccccc1)=O)s3
>
2329872
$$$$