Expanding a very small amount on Paolo's answer:
The general rule of thumb is that you should be able to draw a valid
conjugated Kekule structure for the molecule where the ring has 4N+2
electrons.
That works for C1=[S+]SC=N1, which produces the output SMILES c1nc[s+]s1.
-greg
On Mon, Feb 8, 2016 at 12:25 PM, Paolo Tosco <paolo.to...@unito.it> wrote:
> 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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