KEGG   COMPOUND: C10977
Entry
C10977                      Compound                               
Name
Thiadiazolidinethione;
5-(4-Bromophenylimino)-3,4-tetramethylene-1,3,4-thiadiazolidine-2-thione
Formula
C12H12BrN3S2
Exact mass
340.9656
Mol weight
342.2778
Structure
Other DBs
PubChem: 13160
ChEBI: 9528
NIKKAJI: J720.783B
LinkDB
KCF data

ATOM        18
            1   C1x C    23.1618  -19.8113
            2   C1x C    23.1618  -21.2111
            3   C1x C    24.3770  -21.9110
            4   C1x C    24.3770  -19.1114
            5   N4y N    25.5851  -19.8113
            6   N4y N    25.5792  -21.2145
            7   C8y C    26.9120  -21.6538
            8   S2x S    27.7413  -20.5219
            9   C8y C    26.9215  -19.3832
            10  N2b N    27.3596  -18.0538
            11  S0  S    27.3390  -22.9869
            12  C8y C    28.7300  -17.7686
            13  C8x C    29.6585  -18.8155
            14  C8x C    31.0290  -18.5302
            15  C8y C    31.4671  -17.2008
            16  C8x C    30.5349  -16.1567
            17  C8x C    29.1644  -16.4419
            18  X   Br   32.8375  -16.9154
BOND        20
            1     8   9 1
            2     9   5 1
            3     4   1 1
            4     9  10 2
            5     7  11 2
            6     1   2 1
            7    10  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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