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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-butoxyphenyl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-butoxyphenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(4-butoxyphenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-butoxyphenyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(4-butoxyphenyl)acetamide Formula: C19H20N5O2S+ MolecularWeight: 382.4594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C19H19N5O2S/c1-2-3-8-26-16-6-4-15(5-7-16)23-17(25)12-27-19-14(11-21)9-13(10-20)18(22)24-19/h4-7,9H,2-3,8,12H2,1H3,(H2,22,24)(H,23,25)/p+1