COMPOUND: C19189
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Entry
C19189 Compound
Name
2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole;
Triafur
Formula
C6H4N4O3S
Exact mass
212.0004
Mol weight
212.186
Structure
Mol file
KCF file
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CAS:
712-68-5
PubChem:
124489861
ChEBI:
82286
KCF data
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ATOM 14
1 C8y C 16.9966 -20.6471
2 C8x C 17.4231 -21.9806
3 C8x C 18.8231 -21.9870
4 C8y C 19.2619 -20.6575
5 O2x O 18.1331 -19.8294
6 C8y C 20.5867 -20.2338
7 N2b N 15.7976 -19.9500 #+
8 O3a O 14.3051 -20.6500 #-
9 O3a O 15.7997 -18.5501
10 N5x N 21.7094 -21.0573
11 N5x N 22.8396 -20.2441
12 C8y C 22.4154 -18.9179
13 S2x S 21.0230 -18.9115
14 N1a N 23.2465 -17.7849
BOND 15
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 1
6 4 6 1
7 1 7 1
8 7 8 1
9 7 9 2
10 6 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 6 13 1
15 12 14 1
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PubChem (1)
ChEBI (1)
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