(4R)-6-[(4-cyanophenyl)methylsulfanyl]-3-ethanoyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (4R)-6-[(4-cyanophenyl)methylsulfanyl]-3-ethanoyl-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-6-[(4-cyanophenyl)methylsulfanyl]-4-(2-furyl)-2-methyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-6-[(4-cyanophenyl)methylthio]-4-(2-furanyl)-2-methyl-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-6-[(4-cyanophenyl)methylsulfanyl]-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-6-[(4-cyanobenzyl)thio]-4-(2-furyl)-2-methyl-3,4-dihydropyridine-5-carbonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=CO2)C#N)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CC=CO2)C#N)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17N3O2S/c1-13-19(14(2)25)20(18-4-3-9-26-18)17(11-23)21(24-13)27-12-16-7-5-15(10-22)6-8-16/h3-9,19-20H,12H2,1-2H3/t19?,20-/m1/s1