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

Systemtic Name: (2R,4S)-5-cyano-2-methyl-2-oxidanyl-3-pyridin-1-ium-1-yl-4-pyridin-4-yl-3,4-dihydro-1H-pyridine-6-thiolate Openeye Name: (2R,4S)-5-cyano-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-4-(4-pyridyl)-3,4-dihydro-1H-pyridine-6-thiolate CAS Name: (2R,4S)-5-cyano-2-hydroxy-2-methyl-3-(1-pyridin-1-iumyl)-4-pyridin-4-yl-3,4-dihydro-1H-pyridine-6-thiolate IUPAC Name: (2R,4S)-5-cyano-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-4-pyridin-4-yl-3,4-dihydro-1H-pyridine-6-thiolate Traditional Name: (2R,4S)-5-cyano-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-4-(4-pyridyl)-3,4-dihydro-1H-pyridine-6-thiolate Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(=C(N1)[S-])C#N)C2=CC=NC=C2)[N+]3=CC=CC=C3)O

Isomeric SMILES

C[C@]1(C([C@H](C(=C(N1)[S-])C#N)C2=CC=NC=C2)[N+]3=CC=CC=C3)O

InChI

InChI=1S/C17H16N4OS/c1-17(22)15(21-9-3-2-4-10-21)14(12-5-7-19-8-6-12)13(11-18)16(23)20-17/h2-10,14-15,20,22H,1H3/t14-,15?,17+/m0/s1