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

Systemtic Name: (4S)-4-(2-chlorophenyl)-3-ethanoyl-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-4-(2-chlorophenyl)-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-4-(2-chlorophenyl)-2-methyl-6-(methylthio)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-4-(2-chlorophenyl)-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-4-(2-chlorophenyl)-2-methyl-6-(methylthio)-3,4-dihydropyridine-5-carbonitrile Formula: C16H15ClN2OS MolecularWeight: 318.8211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=CC=C2Cl)C#N)SC

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)C)C2=CC=CC=C2Cl)C#N)SC

InChI

InChI=1S/C16H15ClN2OS/c1-9-14(10(2)20)15(11-6-4-5-7-13(11)17)12(8-18)16(19-9)21-3/h4-7,14-15H,1-3H3/t14?,15-/m1/s1