KEGG   COMPOUND: C10978
Entry
C10978                      Compound                               
Name
Triazolidinedithione;
4-Bromophenyl-1,2-tetramethylene-1,2,4-triazolidine-3,5-dithione
Formula
C12H12BrN3S2
Exact mass
340.9656
Mol weight
342.2778
Structure
Other DBs
PubChem: 13161
ChEBI: 9676
NIKKAJI: J720.782D
LinkDB
KCF data

ATOM        18
            1   C1x C    22.9524  -18.8212
            2   C1x C    22.9524  -20.2212
            3   C1x C    24.1677  -20.9211
            4   C1x C    24.1677  -18.1213
            5   N4y N    25.3759  -18.8212
            6   N4y N    25.3699  -20.2246
            7   C8y C    26.7028  -20.6639
            8   N4y N    27.5323  -19.5319
            9   C8y C    26.7122  -18.3931
            10  C8y C    28.9322  -19.5377
            11  C8x C    29.6206  -20.7537
            12  C8x C    31.0206  -20.6894
            13  C8y C    31.7256  -19.5501
            14  C8x C    31.0306  -18.3347
            15  C8x C    29.6306  -18.3290
            16  X   Br   33.1254  -19.5558
            17  S0  S    27.1505  -17.0636
            18  S0  S    27.1299  -21.9971
BOND        20
            1     8   9 1
            2     9   5 1
            3     4   1 1
            4     8  10 1
            5     1   2 1
            6     2   3 1
            7     3   6 1
            8     5   4 1
            9    10  11 2
            10   11  12 1
            11   12  13 2
            12   13  14 1
            13   14  15 2
            14   15  10 1
            15    5   6 1
            16   13  16 1
            17    6   7 1
            18    9  17 2
            19    7   8 1
            20    7  18 2

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