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

Systemtic Name: (4R)-3-ethanoyl-2-methyl-4-pyridin-3-yl-6-sulfanyl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-2-methyl-4-(3-pyridyl)-6-sulfanyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-6-mercapto-2-methyl-4-(3-pyridinyl)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-2-methyl-4-pyridin-3-yl-6-sulfanyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-6-mercapto-2-methyl-4-(3-pyridyl)-3,4-dihydropyridine-5-carbonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3OS/c1-8-12(9(2)18)13(10-4-3-5-16-7-10)11(6-15)14(19)17-8/h3-5,7,12-13,19H,1-2H3/t12?,13-/m1/s1