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

Systemtic Name: (3R,4S,5S,6R)-5-(6-chloranylquinolin-1-ium-1-yl)-3-cyano-6-oxidanyl-6-phenyl-4-pyridin-3-yl-4,5-dihydro-3H-pyridine-2-thiolate Openeye Name: (3R,4S,5S,6R)-5-(6-chloroquinolin-1-ium-1-yl)-3-cyano-6-hydroxy-6-phenyl-4-(3-pyridyl)-4,5-dihydro-3H-pyridine-2-thiolate CAS Name: (3R,4S,5S,6R)-5-(6-chloro-1-quinolin-1-iumyl)-3-cyano-6-hydroxy-6-phenyl-4-(3-pyridinyl)-4,5-dihydro-3H-pyridine-2-thiolate IUPAC Name: (3R,4S,5S,6R)-5-(6-chloroquinolin-1-ium-1-yl)-3-cyano-6-hydroxy-6-phenyl-4-pyridin-3-yl-4,5-dihydro-3H-pyridine-2-thiolate Traditional Name: (3R,4S,5S,6R)-5-(6-chloroquinolin-1-ium-1-yl)-3-cyano-6-hydroxy-6-phenyl-4-(3-pyridyl)-4,5-dihydro-3H-pyridine-2-thiolate Formula: C26H19ClN4OS MolecularWeight: 470.97326

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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=CN=CC=C3)[N+]4=CC=CC5=C4C=CC(=C5)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)[C@]2([C@H]([C@@H]([C@@H](C(=N2)[S-])C#N)C3=CN=CC=C3)[N+]4=CC=CC5=C4C=CC(=C5)Cl)O

InChI

InChI=1S/C26H19ClN4OS/c27-20-10-11-22-17(14-20)7-5-13-31(22)24-23(18-6-4-12-29-16-18)21(15-28)25(33)30-26(24,32)19-8-2-1-3-9-19/h1-14,16,21,23-24,32H/t21-,23+,24-,26+/m0/s1