2-azanyl-6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(2-keto-2-pyrrolidino-ethyl)thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C13H14N5OS+ MolecularWeight: 288.34816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C13H13N5OS/c14-6-9-5-10(7-15)13(17-12(9)16)20-8-11(19)18-3-1-2-4-18/h5H,1-4,8H2,(H2,16,17)/p+1