2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-amino-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-amino-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-amino-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-amino-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C23H23N4OS2+ MolecularWeight: 435.58492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4OS2/c24-10-16-20(18-2-1-3-29-18)17(11-25)22(27-21(16)26)30-12-19(28)23-7-13-4-14(8-23)6-15(5-13)9-23/h1-3,13-15H,4-9,12H2,(H2,26,27)/p+1