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

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]acetamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=C(C=C(C(=[NH+]4)N)C#N)C#N

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=C(C=C(C(=[NH+]4)N)C#N)C#N

InChI

InChI=1S/C21H25N5OS/c1-12(21-6-13-2-14(7-21)4-15(3-13)8-21)25-18(27)11-28-20-17(10-23)5-16(9-22)19(24)26-20/h5,12-15H,2-4,6-8,11H2,1H3,(H2,24,26)(H,25,27)/p+1/t12-,13?,14?,15?,21?/m1/s1