KEGG   COMPOUND: C10973Help
Entry
C10973                      Compound                               

Name
Thiadiazolidinone;
5-(4-Bromophenylimino)-3,4-tetramethylene-1,3,4-thiadiazolidin-2-one
Formula
C12H12BrN3OS
Exact mass
324.9884
Mol weight
326.2122
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 13156
ChEBI: 9529
ChEMBL: CHEMBL2289021
NIKKAJI: J571.146K
KCF data Show

ATOM        18
            1   C1x C    23.1904  -19.7895
            2   C1x C    23.1904  -21.1893
            3   C1x C    24.4056  -21.8892
            4   C1x C    24.4056  -19.0896
            5   N4y N    25.6136  -19.7895
            6   N4y N    25.6079  -21.1927
            7   C8y C    26.9406  -21.6320
            8   S2x S    27.7698  -20.5003
            9   C8y C    26.9500  -19.3616
            10  O5x O    27.3677  -22.9651
            11  N2b N    27.3881  -18.0321
            12  C8y C    28.7585  -17.7468
            13  C8x C    29.6870  -18.7939
            14  C8x C    31.0574  -18.5085
            15  C8y C    31.4957  -17.1791
            16  C8x C    30.5633  -16.1349
            17  C8x C    29.1929  -16.4202
            18  X   Br   32.8661  -16.8939
BOND        20
            1     8   9 1
            2     9   5 1
            3     4   1 1
            4     7  10 2
            5     9  11 2
            6     1   2 1
            7    11  12 1
            8     2   3 1
            9     3   6 1
            10    5   4 1
            11    5   6 1
            12    6   7 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  12 1
            19    7   8 1
            20   15  18 1

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