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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-ethyl-N-[(3-fluorophenyl)methyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-ethyl-N-(3-fluorobenzyl)acetamide Formula: C18H17FN5OS+ MolecularWeight: 370.423883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN5OS/c1-2-24(10-12-4-3-5-15(19)6-12)16(25)11-26-18-14(9-21)7-13(8-20)17(22)23-18/h3-7H,2,10-11H2,1H3,(H2,22,23)/p+1