2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-1-ium-2-yl]sulfanylethanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-1-ium-2-yl]sulfanylethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(2-furyl)pyridin-1-ium-2-yl]sulfanylacetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridin-1-iumyl]thio]acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-1-ium-2-yl]sulfanylacetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)pyridin-1-ium-2-yl]thio]acetamide Formula: C13H10N5O2S+ MolecularWeight: 300.3158

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)N)N)C#N

Isomeric SMILES

C1=COC(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)N)N)C#N

InChI

InChI=1S/C13H9N5O2S/c14-4-7-11(9-2-1-3-20-9)8(5-15)13(18-12(7)17)21-6-10(16)19/h1-3H,6H2,(H2,16,19)(H2,17,18)/p+1