Dear Guido,
to be aromatic, that ring system will need a +1 formal charge on one of
the sulfur atoms:
a = Chem.MolFromSmiles("c1ncs[s+]1",sanitize=True)
or
a = Chem.MolFromSmiles("c1nc[s+]s1",sanitize=True)
Best regards,
Paolo
On 08/02/2016 11:19, Wolf-Guido Bolick wrote:
Hi all,
I recently stumbled over a problem with the kekulization of this
structure c1ncss1 .
a = Chem.MolFromSmiles("c1ncss1",sanitize=True)
[11:56:21] Can't kekulize mol
Is it possible to create a sanitized mol-object of this structure?
kind regards,
Guido
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