(4S)-2-butylsulfanyl-5-ethanoyl-6-methyl-4-phenyl-3,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4S)-2-butylsulfanyl-5-ethanoyl-6-methyl-4-phenyl-3,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-2-butylsulfanyl-6-methyl-4-phenyl-3,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-2-(butylthio)-6-methyl-4-phenyl-3,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-2-butylsulfanyl-6-methyl-4-phenyl-3,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-2-(butylthio)-6-methyl-4-phenyl-3,4-dihydropyridine-3-carbonitrile Formula: C19H22N2OS MolecularWeight: 326.45578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C(C1C#N)C2=CC=CC=C2)C(=O)C)C

Isomeric SMILES

CCCCSC1=NC(=C([C@@H](C1C#N)C2=CC=CC=C2)C(=O)C)C

InChI

InChI=1S/C19H22N2OS/c1-4-5-11-23-19-16(12-20)18(15-9-7-6-8-10-15)17(14(3)22)13(2)21-19/h6-10,16,18H,4-5,11H2,1-3H3/t16?,18-/m1/s1