(4S)-4-(3-chlorophenyl)-3-ethanoyl-2-methyl-6-sulfanyl-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4S)-4-(3-chlorophenyl)-3-ethanoyl-2-methyl-6-sulfanyl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-4-(3-chlorophenyl)-2-methyl-6-sulfanyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-4-(3-chlorophenyl)-6-mercapto-2-methyl-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-4-(3-chlorophenyl)-2-methyl-6-sulfanyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-4-(3-chlorophenyl)-6-mercapto-2-methyl-3,4-dihydropyridine-5-carbonitrile Formula: C15H13ClN2OS MolecularWeight: 304.79452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN2OS/c1-8-13(9(2)19)14(12(7-17)15(20)18-8)10-4-3-5-11(16)6-10/h3-6,13-14,20H,1-2H3/t13?,14-/m0/s1