(2S,3S,4R)-3-cyano-5-ethanoyl-6-methyl-4-pyridin-3-yl-2,3,4,5-tetrahydropyridine-2-thiolate

Systemtic Name: (2S,3S,4R)-3-cyano-5-ethanoyl-6-methyl-4-pyridin-3-yl-2,3,4,5-tetrahydropyridine-2-thiolate Openeye Name: (2S,3S,4R)-5-acetyl-3-cyano-6-methyl-4-(3-pyridyl)-2,3,4,5-tetrahydropyridine-2-thiolate CAS Name: (2S,3S,4R)-5-acetyl-3-cyano-6-methyl-4-(3-pyridinyl)-2,3,4,5-tetrahydropyridine-2-thiolate IUPAC Name: (2S,3S,4R)-5-acetyl-3-cyano-6-methyl-4-pyridin-3-yl-2,3,4,5-tetrahydropyridine-2-thiolate Traditional Name: (2S,3S,4R)-5-acetyl-3-cyano-6-methyl-4-(3-pyridyl)-2,3,4,5-tetrahydropyridine-2-thiolate Formula: C14H14N3OS- MolecularWeight: 272.34546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C(C(C1C(=O)C)C2=CN=CC=C2)C#N)[S-]

Isomeric SMILES

CC1=N[C@H]([C@@H]([C@@H](C1C(=O)C)C2=CN=CC=C2)C#N)[S-]

InChI

InChI=1S/C14H15N3OS/c1-8-12(9(2)18)13(10-4-3-5-16-7-10)11(6-15)14(19)17-8/h3-5,7,11-14,19H,1-2H3/p-1/t11-,12?,13+,14+/m1/s1