(4R)-2-[(E)-but-2-enyl]sulfanyl-5-ethanoyl-4-(4-ethylphenyl)-6-methyl-3,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4R)-2-[(E)-but-2-enyl]sulfanyl-5-ethanoyl-4-(4-ethylphenyl)-6-methyl-3,4-dihydropyridine-3-carbonitrile Openeye Name: (4R)-5-acetyl-2-[(E)-but-2-enyl]sulfanyl-4-(4-ethylphenyl)-6-methyl-3,4-dihydropyridine-3-carbonitrile CAS Name: (4R)-5-acetyl-2-[[(E)-but-2-enyl]thio]-4-(4-ethylphenyl)-6-methyl-3,4-dihydropyridine-3-carbonitrile IUPAC Name: (4R)-5-acetyl-2-[(E)-but-2-enyl]sulfanyl-4-(4-ethylphenyl)-6-methyl-3,4-dihydropyridine-3-carbonitrile Traditional Name: (4R)-5-acetyl-2-[[(E)-but-2-enyl]thio]-4-(4-ethylphenyl)-6-methyl-3,4-dihydropyridine-3-carbonitrile Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=NC(=C2C(=O)C)C)SCC=CC)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2C(C(=NC(=C2C(=O)C)C)SC/C=C/C)C#N

InChI

InChI=1S/C21H24N2OS/c1-5-7-12-25-21-18(13-22)20(19(15(4)24)14(3)23-21)17-10-8-16(6-2)9-11-17/h5,7-11,18,20H,6,12H2,1-4H3/b7-5+/t18?,20-/m0/s1