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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2C(C(=C(NC2(C)O)[S-])C#N)C3=CC=NC=C3

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@@H]2[C@H](C(=C(N[C@]2(C)O)[S-])C#N)C3=CC=NC=C3

InChI

InChI=1S/C18H18N4OS/c1-12-4-3-9-22(11-12)16-15(13-5-7-20-8-6-13)14(10-19)17(24)21-18(16,2)23/h3-9,11,15-16,21,23H,1-2H3/t15-,16+,18+/m0/s1