2-[2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylethanoyl-methyl-amino]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylethanoyl-methyl-amino]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylacetyl]-methyl-amino]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-1-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]acetyl]-methyl-amino]-N-(4-fluorophenyl)acetamide Formula: C18H16FN6O2S+ MolecularWeight: 399.422043

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C18H15FN6O2S/c1-25(9-15(26)23-14-4-2-13(19)3-5-14)16(27)10-28-18-12(8-21)6-11(7-20)17(22)24-18/h2-6H,9-10H2,1H3,(H2,22,24)(H,23,26)/p+1