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

Systemtic Name: 2-[2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylethanoyl-methyl-amino]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[[2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanylacetyl]-methyl-amino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-1-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[[2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanylacetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[[2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]acetyl]-methyl-amino]-N-(2,6-dimethylphenyl)acetamide Formula: C20H21N6O2S+ MolecularWeight: 409.48474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C20H20N6O2S/c1-12-5-4-6-13(2)18(12)24-16(27)10-26(3)17(28)11-29-20-15(9-22)7-14(8-21)19(23)25-20/h4-7H,10-11H2,1-3H3,(H2,23,25)(H,24,27)/p+1