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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1,2-diphenylethyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1,2-diphenylethyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(1R)-1,2-diphenylethyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1,2-diphenylethyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[(1R)-1,2-diphenylethyl]acetamide Formula: C23H20N5OS+ MolecularWeight: 414.5028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C2=CC=CC=C2)NC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C23H19N5OS/c24-13-18-12-19(14-25)23(28-22(18)26)30-15-21(29)27-20(17-9-5-2-6-10-17)11-16-7-3-1-4-8-16/h1-10,12,20H,11,15H2,(H2,26,28)(H,27,29)/p+1/t20-/m1/s1