Hello all,
Could anyone please explain this:
In [21]: Chem.CanonSmiles('C1=CC=C2C(=C1)NC=S2')
Out[21]: 'c1[nH]c2ccccc2s1'
In [22]: Chem.MolFromSmiles(Out[21])
[16:47:14] Can't kekulize mol
In other words, how is it possible that a valid RDKit SMILES output fails
to be converted to molecule again?
I'm sure this has to do with aromaticity and kekulization for benzothiazole
but still....
Many thanks in advance,
George
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