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

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

Click to see the large picture

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(=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/h1-14,16,23-24,30,32H/t23-,24+,26+/m0/s1