(4S)-4-(4-butoxyphenyl)-5-ethanoyl-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4S)-4-(4-butoxyphenyl)-5-ethanoyl-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-4-(4-butoxyphenyl)-2-mercapto-6-methyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-4-(4-butoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-4-(4-butoxyphenyl)-2-mercapto-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)C)C)S)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@H]2C(=C(NC(=C2C(=O)C)C)S)C#N

InChI

InChI=1S/C19H22N2O2S/c1-4-5-10-23-15-8-6-14(7-9-15)18-16(11-20)19(24)21-12(2)17(18)13(3)22/h6-9,18,21,24H,4-5,10H2,1-3H3/t18-/m1/s1