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PDBeChem : Molecule Descriptors
Molecule : 1QV
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C7H2F4N2O2S2/c8-1-2(9)4(11)6-5(3(1)10)13-7(16-6)17(12,14)15/h(H2,12,14,15) |
2 |
InChIKey
|
InChI |
1.03 |
LKDBBZQZZJMNJW-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=S(=O)(c1nc2c(F)c(F)c(F)c(F)c2s1)N |
4 |
SMILES
|
CACTVS |
3.370 |
N[S](=O)(=O)c1sc2c(F)c(F)c(F)c(F)c2n1 |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
N[S](=O)(=O)c1sc2c(F)c(F)c(F)c(F)c2n1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F |
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