KEGG   COMPOUND: C11741Help
Entry
C11741                      Compound                               

Name
SB 221284
Formula
C16H14F3N3OS
Exact mass
353.081
Mol weight
353.3621
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 13906
ChEBI: 8978
ChEMBL: CHEMBL276140
NIKKAJI: J893.645E
KCF data Show

ATOM        24
            1   N1y N    11.0083   -6.2845
            2   C5a C    10.7426   -5.4995
            3   N1b N     9.9336   -5.3423
            4   O5a O    11.2893   -4.8792
            5   C1x C    10.5301   -6.9610
            6   C1x C    11.0243   -7.6269
            7   C8y C    11.7993   -6.5352
            8   C8y C    11.8087   -7.3588
            9   C8x C    12.5262   -7.7616
            10  C8x C    12.5075   -6.1142
            11  C8y C    13.2281   -6.5196
            12  C8y C    13.2391   -7.3453
            13  C8y C     9.2224   -5.7603
            14  C8x C     8.5073   -5.3539
            15  C8x C     7.7961   -5.7720
            16  C8x C     7.8025   -6.5969
            17  N5x N     8.5202   -7.0038
            18  C8x C     9.2314   -6.5857
            19  C1d C    13.9375   -6.0984
            20  X   F    14.6458   -5.6792
            21  X   F    14.3417   -6.8083
            22  X   F    13.5167   -5.3792
            23  S2a S    13.9573   -7.7512
            24  C1a C    13.9649   -8.5762
BOND        26
            1    10   7 1
            2    11  12 1
            3     3  13 1
            4     1   2 1
            5     1   5 1
            6     5   6 1
            7     6   8 1
            8     7   1 1
            9    13  14 2
            10   14  15 1
            11   15  16 2
            12   16  17 1
            13   17  18 2
            14   18  13 1
            15    2   3 1
            16   11  19 1
            17    2   4 2
            18   19  20 1
            19    7   8 2
            20   19  21 1
            21    8   9 1
            22   19  22 1
            23    9  12 2
            24   12  23 1
            25   11  10 2
            26   23  24 1

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