2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(2S)-butan-2-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C13H15N5OS/c1-3-8(2)17-11(19)7-20-13-10(6-15)4-9(5-14)12(16)18-13/h4,8H,3,7H2,1-2H3,(H2,16,18)(H,17,19)/p+1/t8-/m0/s1