KEGG   COMPOUND: C19468
Entry
C19468                      Compound                               
Name
Nithiazide
Formula
C6H8N4O3S
Exact mass
216.0317
Mol weight
216.22
Structure
Other DBs
CAS: 139-94-6
PubChem: 124490140
ChEBI: 82500
LinkDB
KCF data

ATOM        14
            1   C8y C    16.1700  -17.0100
            2   N1b N    17.3824  -16.3100
            3   C5a C    18.5949  -17.0100
            4   N1b N    19.8073  -16.3100
            5   C1b C    21.0197  -17.0100
            6   N5x N    15.0347  -16.1908
            7   C8x C    13.9048  -17.0173
            8   C8y C    14.3417  -18.3474
            9   S2x S    15.7417  -18.3429
            10  N2b N    13.1376  -19.0400 #+
            11  O3a O    11.9251  -18.3400 #-
            12  O3a O    13.1376  -20.4400
            13  O5a O    18.5949  -18.4100
            14  C1a C    22.2173  -16.3185
BOND        14
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     1   9 1
            10    8  10 1
            11   10  11 1
            12   10  12 2
            13    3  13 2
            14    5  14 1

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