(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(4-fluorobenzyl)propionamide Formula: C17H15FN5OS+ MolecularWeight: 356.397303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)F)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C17H14FN5OS/c1-10(16(24)22-9-11-2-4-14(18)5-3-11)25-17-13(8-20)6-12(7-19)15(21)23-17/h2-6,10H,9H2,1H3,(H2,21,23)(H,22,24)/p+1/t10-/m1/s1