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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C19H20N5OS+ MolecularWeight: 366.46

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

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