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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(3-fluorophenyl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(3-fluorophenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(3-fluorophenyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(3-fluorophenyl)acetamide Formula: C15H11FN5OS+ MolecularWeight: 328.344143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10FN5OS/c16-11-2-1-3-12(5-11)20-13(22)8-23-15-10(7-18)4-9(6-17)14(19)21-15/h1-5H,8H2,(H2,19,21)(H,20,22)/p+1