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

Systemtic Name: (2R,3R,4S)-5-cyano-2-methyl-2-oxidanyl-3-pyridin-1-ium-1-yl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-6-thiolate Openeye Name: (2R,3R,4S)-5-cyano-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-4-(2-thienyl)-3,4-dihydro-1H-pyridine-6-thiolate CAS Name: (2R,3R,4S)-5-cyano-2-hydroxy-2-methyl-3-(1-pyridin-1-iumyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-6-thiolate IUPAC Name: (2R,3R,4S)-5-cyano-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-6-thiolate Traditional Name: (2R,3R,4S)-5-cyano-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-4-(2-thienyl)-3,4-dihydro-1H-pyridine-6-thiolate Formula: C16H15N3OS2 MolecularWeight: 329.4398

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(=C(N1)[S-])C#N)C2=CC=CS2)[N+]3=CC=CC=C3)O

Isomeric SMILES

C[C@]1([C@@H]([C@H](C(=C(N1)[S-])C#N)C2=CC=CS2)[N+]3=CC=CC=C3)O

InChI

InChI=1S/C16H15N3OS2/c1-16(20)14(19-7-3-2-4-8-19)13(12-6-5-9-22-12)11(10-17)15(21)18-16/h2-9,13-14,18,20H,1H3/t13-,14-,16-/m1/s1