KEGG   COMPOUND: C10951
Entry
C10951                      Compound                               
Name
N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]phenyl]acetamide;
ITOPA
Formula
C20H16ClF3N2O2S
Exact mass
440.0573
Mol weight
440.8665
Structure
Other DBs
PubChem: 13134
ChEBI: 7100
NIKKAJI: J838.636F
LinkDB
KCF data

ATOM        29
            1   C8y C    32.2569  -20.9304
            2   C8x C    32.2498  -19.5286
            3   C8x C    33.4614  -18.8179
            4   C8y C    34.6800  -19.5164
            5   C8x C    34.6171  -20.9183
            6   C8x C    33.4754  -21.6218
            7   O2a O    31.0450  -21.6279
            8   C1d C    35.8916  -18.8057
            9   X   F    35.8781  -17.4079
            10  X   F    37.1117  -19.5013
            11  X   F    37.0969  -18.1125
            12  C8y C    22.5614  -19.5319
            13  C8y C    21.4228  -18.7322
            14  C8y C    20.3027  -19.5745
            15  N5x N    20.7540  -20.8905
            16  S2x S    22.1523  -20.8689
            17  C8y C    27.4069  -19.5304
            18  C8x C    27.4069  -20.9325
            19  C8x C    28.6250  -21.6369
            20  C8y C    29.8358  -20.9325
            21  C8x C    29.8358  -19.5304
            22  C8x C    28.6250  -18.8330
            23  C1b C    26.1951  -18.8330
            24  C5a C    24.9834  -19.5304
            25  N1c N    23.7716  -18.8330
            26  C1a C    18.9630  -19.1573
            27  X   Cl   21.3941  -17.3300
            28  C1a C    23.7714  -17.4309
            29  O5a O    24.9834  -20.9325
BOND        31
            1     4   5 1
            2     5   6 2
            3     6   1 1
            4     8   9 1
            5     8  10 1
            6     8  11 1
            7     1   2 2
            8     7   1 1
            9     2   3 1
            10    4   8 1
            11    3   4 2
            12   17  18 2
            13   18  19 1
            14   19  20 2
            15   20  21 1
            16   21  22 2
            17   22  17 1
            18   17  23 1
            19   23  24 1
            20   24  25 1
            21   25  12 1
            22   14  26 1
            23   13  27 1
            24   12  13 2
            25   25  28 1
            26   13  14 1
            27   24  29 2
            28   14  15 2
            29   15  16 1
            30   16  12 1
            31   20   7 1

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