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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-methyl-N-phenyl-ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-methyl-N-phenyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-methyl-N-phenylacetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-methyl-N-phenylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-methyl-N-phenyl-acetamide Formula: C16H14N5OS+ MolecularWeight: 324.38026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5OS/c1-21(13-5-3-2-4-6-13)14(22)10-23-16-12(9-18)7-11(8-17)15(19)20-16/h2-7H,10H2,1H3,(H2,19,20)/p+1