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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5OS/c1-2-6-16(13-7-4-3-5-8-13)23-17(25)12-26-19-15(11-21)9-14(10-20)18(22)24-19/h3-5,7-9,16H,2,6,12H2,1H3,(H2,22,24)(H,23,25)/p+1/t16-/m1/s1