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

Systemtic Name: (3S,4R,5R,6S)-3-cyano-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-6-oxidanyl-4-pyridin-3-yl-4,5-dihydro-3H-pyridine-2-thiolate Openeye Name: (3S,4R,5R,6S)-3-cyano-6-hydroxy-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-4-(3-pyridyl)-4,5-dihydro-3H-pyridine-2-thiolate CAS Name: (3S,4R,5R,6S)-3-cyano-6-hydroxy-6-methyl-5-(2-methyl-1-pyridin-1-iumyl)-4-(3-pyridinyl)-4,5-dihydro-3H-pyridine-2-thiolate IUPAC Name: (3S,4R,5R,6S)-3-cyano-6-hydroxy-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-4-pyridin-3-yl-4,5-dihydro-3H-pyridine-2-thiolate Traditional Name: (3S,4R,5R,6S)-3-cyano-6-hydroxy-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-4-(3-pyridyl)-4,5-dihydro-3H-pyridine-2-thiolate Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1C2C(C(C(=NC2(C)O)[S-])C#N)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=[N+]1[C@@H]2[C@H]([C@H](C(=N[C@@]2(C)O)[S-])C#N)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4OS/c1-12-6-3-4-9-22(12)16-15(13-7-5-8-20-11-13)14(10-19)17(24)21-18(16,2)23/h3-9,11,14-16,23H,1-2H3/t14-,15+,16-,18+/m1/s1