(2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-propyl-propanamide

Systemtic Name: (2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-propyl-propanamide Openeye Name: (2S)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-propyl-propanamide CAS Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-propylpropanamide IUPAC Name: (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-propylpropanamide Traditional Name: (2S)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-propyl-propionamide Formula: C13H16N5OS+ MolecularWeight: 290.36404

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C13H15N5OS/c1-3-4-17-12(19)8(2)20-13-10(7-15)5-9(6-14)11(16)18-13/h5,8H,3-4H2,1-2H3,(H2,16,18)(H,17,19)/p+1/t8-/m0/s1