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

Systemtic Name: (2R,3S,4R)-5-ethanoyl-6-methyl-4-pyridin-3-yl-2-sulfanyl-2,3,4,5-tetrahydropyridine-3-carbonitrile Openeye Name: (2R,3S,4R)-5-acetyl-6-methyl-4-(3-pyridyl)-2-sulfanyl-2,3,4,5-tetrahydropyridine-3-carbonitrile CAS Name: (2R,3S,4R)-5-acetyl-2-mercapto-6-methyl-4-(3-pyridinyl)-2,3,4,5-tetrahydropyridine-3-carbonitrile IUPAC Name: (2R,3S,4R)-5-acetyl-6-methyl-4-pyridin-3-yl-2-sulfanyl-2,3,4,5-tetrahydropyridine-3-carbonitrile Traditional Name: (2R,3S,4R)-5-acetyl-2-mercapto-6-methyl-4-(3-pyridyl)-2,3,4,5-tetrahydropyridine-3-carbonitrile Formula: C14H15N3OS MolecularWeight: 273.3534

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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/t11-,12?,13+,14-/m1/s1