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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-naphthalen-1-ylethyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-(1-naphthyl)ethyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(1R)-1-(1-naphthalenyl)ethyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-naphthalen-1-ylethyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[(1R)-1-(1-naphthyl)ethyl]acetamide Formula: C21H18N5OS+ MolecularWeight: 388.46552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C21H17N5OS/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)25-19(27)12-28-21-16(11-23)9-15(10-22)20(24)26-21/h2-9,13H,12H2,1H3,(H2,24,26)(H,25,27)/p+1/t13-/m1/s1