1,1-dimethyl-5-nitro-indol-1-ium-2-thiol

Systemtic Name: 1,1-dimethyl-5-nitro-indol-1-ium-2-thiol Openeye Name: 1,1-dimethyl-5-nitro-indol-1-ium-2-thiol CAS Name: 1,1-dimethyl-5-nitro-2-indol-1-iumthiol IUPAC Name: 1,1-dimethyl-5-nitroindol-1-ium-2-thiol Traditional Name: 1,1-dimethyl-5-nitro-indol-1-ium-2-thiol Formula: C10H11N2O2S+ MolecularWeight: 223.27154

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=C(C=C2)[N+](=O)[O-])C=C1S)C

Isomeric SMILES

C[N+]1(C2=C(C=C(C=C2)[N+](=O)[O-])C=C1S)C

InChI

InChI=1S/C10H10N2O2S/c1-12(2)9-4-3-8(11(13)14)5-7(9)6-10(12)15/h3-6H,1-2H3/p+1