5'-nitrospiro[azolidin-1-ium-1,1'-indol-1-ium]-2'-thiol

Systemtic Name: 5'-nitrospiro[azolidin-1-ium-1,1'-indol-1-ium]-2'-thiol Openeye Name: 5'-nitrospiro[azolidin-1-ium-1,1'-indol-1-ium]-2'-thiol CAS Name: 5'-nitro-2'-spiro[azolidin-1-ium-1,1'-indol-1-ium]thiol IUPAC Name: 5'-nitrospiro[azolidin-1-ium-1,1'-indol-1-ium]-2'-thiol Traditional Name: 5'-nitrospiro[azolidin-1-ium-1,1'-indol-1-ium]-2'-thiol Formula: C12H13N2O2S+ MolecularWeight: 249.30882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(C1)C3=C(C=C(C=C3)[N+](=O)[O-])C=C2S

Isomeric SMILES

C1CC[N+]2(C1)C3=C(C=C(C=C3)[N+](=O)[O-])C=C2S

InChI

InChI=1S/C12H12N2O2S/c15-13(16)10-3-4-11-9(7-10)8-12(17)14(11)5-1-2-6-14/h3-4,7-8H,1-2,5-6H2/p+1