N-(1-adamantyl)-2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]acetamide Formula: C23H24N5OS2+ MolecularWeight: 450.59956

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C(=C(C(=[NH+]4)N)C#N)C5=CC=CS5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C(=C(C(=[NH+]4)N)C#N)C5=CC=CS5)C#N

InChI

InChI=1S/C23H23N5OS2/c24-10-16-20(18-2-1-3-30-18)17(11-25)22(27-21(16)26)31-12-19(29)28-23-7-13-4-14(8-23)6-15(5-13)9-23/h1-3,13-15H,4-9,12H2,(H2,26,27)(H,28,29)/p+1