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

Systemtic Name: (2R,3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-oxidanyl-2-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-6-thiolate Openeye Name: (2R,3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-6-thiolate CAS Name: (2R,3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-6-thiolate IUPAC Name: (2R,3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-6-thiolate Traditional Name: (2R,3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-hydroxy-2-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-6-thiolate Formula: C23H17Cl2N3OS MolecularWeight: 454.37158

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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(=C(C=C3)Cl)Cl)[N+]4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C23H17Cl2N3OS/c24-18-10-9-15(13-19(18)25)20-17(14-26)22(30)27-23(29,16-7-3-1-4-8-16)21(20)28-11-5-2-6-12-28/h1-13,20-21,27,29H/t20-,21+,23+/m0/s1