KSH2210-02974478
51 53 0 0 0 0 0 0 0 0999 V2000
-1.6088 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3026 1.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6088 3.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1963 3.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9027 4.6438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1963 2.4062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9027 0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9027 -2.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2026 -2.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9913 2.3937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6088 -2.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2026 -0.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6088 -0.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5089 4.6749 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.3026 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2913 1.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-5.5277 -2.8189 0.0000 CL 0 0 0 0 0 0 0 0 0 0 0 0
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4.8790 1.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3150 -2.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3026 4.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1852 2.3937 0.0000 CL 0 0 0 0 0 0 0 0 0 0 0 0
3.5789 -0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2913 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8790 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9789 -2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6275 -5.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2663 -2.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4250 1.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.9889 2.9937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7265 -0.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0854 -0.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5850 2.9937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5146 5.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2134 4.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0886 4.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5739 -1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7739 -0.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3944 -0.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5952 -1.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3665 -1.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2394 -4.6366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1095 -5.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8358 -5.6568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -2.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7847 -3.1462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0588 -3.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 1 1 0 0 0 0
4 1 2 0 0 0 0
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6 4 1 0 0 0 0
7 2 1 0 0 0 0
8 2 1 0 0 0 0
9 12 2 0 0 0 0
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13 8 1 0 0 0 0
14 8 2 0 0 0 0
15 5 2 0 0 0 0
16 3 2 0 0 0 0
17 11 1 0 0 0 0
18 17 1 0 0 0 0
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20 9 1 0 0 0 0
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24 21 1 0 0 0 0
25 26 1 0 0 0 0
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27 25 2 0 0 0 0
28 22 1 0 0 0 0
29 20 1 0 0 0 0
30 28 1 0 0 0 0
5 7 1 0 0 0 0
10 9 1 0 0 0 0
27 21 1 0 0 0 0
2 31 1 0 0 0 0
6 32 1 0 0 0 0
7 33 1 0 0 0 0
11 34 1 0 0 0 0
13 35 1 0 0 0 0
14 36 1 0 0 0 0
18 37 1 0 0 0 0
23 38 1 0 0 0 0
23 39 1 0 0 0 0
23 40 1 0 0 0 0
25 41 1 0 0 0 0
26 42 1 0 0 0 0
27 43 1 0 0 0 0
28 44 1 0 0 0 0
28 45 1 0 0 0 0
29 46 1 0 0 0 0
29 47 1 0 0 0 0
29 48 1 0 0 0 0
30 49 1 0 0 0 0
30 50 1 0 0 0 0
30 51 1 0 0 0 0
M END
>
KSH2210-02974478-01
>
Kishida2210
>
Y510-6918
>
-
>
ChemDiv
>
KS192-7177095
>
C21H21N3O3SCl2
>
466.388
>
0
>
3
>
3
>
1
>
71.6200
>
-8.8442
>
-1.0294
>
-5.179
>
3.057
>
-5.120
>
CCOc2cc(C3NC(NC(=C3C(Nc1cccc(c1)[Cl])=O)C)=S)cc(c2OC)[Cl]
>
HTS2204-01862827
>
51529588 51529587 19589320
$$$$