N-(1-adamantylcarbamoyl)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]acetamide Formula: C20H23N6O2S+ MolecularWeight: 411.50062

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=C(C=C(C(=[NH+]4)N)C#N)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=C(C=C(C(=[NH+]4)N)C#N)C#N

InChI

InChI=1S/C20H22N6O2S/c21-8-14-4-15(9-22)18(25-17(14)23)29-10-16(27)24-19(28)26-20-5-11-1-12(6-20)3-13(2-11)7-20/h4,11-13H,1-3,5-7,10H2,(H2,23,25)(H2,24,26,27,28)/p+1