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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(4-methoxyphenyl)acetamide Formula: C16H14N5O2S+ MolecularWeight: 340.37966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C16H13N5O2S/c1-23-13-4-2-12(3-5-13)20-14(22)9-24-16-11(8-18)6-10(7-17)15(19)21-16/h2-6H,9H2,1H3,(H2,19,21)(H,20,22)/p+1