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

Systemtic Name: (2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2-isopropylphenyl)propanamide CAS Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-o-cumenyl-propionamide Formula: C19H20N5OS+ MolecularWeight: 366.46

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C19H19N5OS/c1-11(2)15-6-4-5-7-16(15)23-18(25)12(3)26-19-14(10-21)8-13(9-20)17(22)24-19/h4-8,11-12H,1-3H3,(H2,22,24)(H,23,25)/p+1/t12-/m0/s1