2-azanyl-6-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(2-morpholino-2-oxo-ethyl)sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-morpholinyl)-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(2-keto-2-morpholino-ethyl)thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C13H14N5O2S+ MolecularWeight: 304.34756

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C1COCCN1C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C13H13N5O2S/c14-6-9-5-10(7-15)13(17-12(9)16)21-8-11(19)18-1-3-20-4-2-18/h5H,1-4,8H2,(H2,16,17)/p+1