(2R,3R,4S)-3-(6-chloranylquinolin-1-ium-1-yl)-5-cyano-2-oxidanyl-2-phenyl-4-thiophen-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-thiophen-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-thienyl)-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-thiophenyl)-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-thiophen-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-thienyl)-3,4-dihydro-1H-pyridine-6-thiolate Formula: C25H18ClN3OS2 MolecularWeight: 476.01292

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

InChI

InChI=1S/C25H18ClN3OS2/c26-19-8-9-21-16(13-19)5-4-11-29(21)23-22(17-10-12-32-15-17)20(14-27)24(31)28-25(23,30)18-6-2-1-3-7-18/h1-13,15,22-23,28,30H/t22-,23+,25+/m0/s1