(3R,4R,5R,6R)-3-cyano-4-(2-fluorophenyl)-6-oxidanyl-6-phenyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-2-thiolate

Systemtic Name: (3R,4R,5R,6R)-3-cyano-4-(2-fluorophenyl)-6-oxidanyl-6-phenyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-2-thiolate Openeye Name: (3R,4R,5R,6R)-3-cyano-4-(2-fluorophenyl)-6-hydroxy-6-phenyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-2-thiolate CAS Name: (3R,4R,5R,6R)-3-cyano-4-(2-fluorophenyl)-6-hydroxy-6-phenyl-5-(1-pyridin-1-iumyl)-4,5-dihydro-3H-pyridine-2-thiolate IUPAC Name: (3R,4R,5R,6R)-3-cyano-4-(2-fluorophenyl)-6-hydroxy-6-phenyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-2-thiolate Traditional Name: (3R,4R,5R,6R)-3-cyano-4-(2-fluorophenyl)-6-hydroxy-6-phenyl-5-pyridin-1-ium-1-yl-4,5-dihydro-3H-pyridine-2-thiolate Formula: C23H18FN3OS MolecularWeight: 403.471923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C(C(C(C(=N2)[S-])C#N)C3=CC=CC=C3F)[N+]4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)[C@]2([C@@H]([C@H]([C@@H](C(=N2)[S-])C#N)C3=CC=CC=C3F)[N+]4=CC=CC=C4)O

InChI

InChI=1S/C23H18FN3OS/c24-19-12-6-5-11-17(19)20-18(15-25)22(29)26-23(28,16-9-3-1-4-10-16)21(20)27-13-7-2-8-14-27/h1-14,18,20-21,28H/t18-,20-,21+,23+/m0/s1