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

Systemtic Name: (4R)-3-ethanoyl-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-4-pyridin-3-yl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-4-(3-pyridyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-2-methyl-6-[(3-nitrophenyl)methylthio]-4-(3-pyridinyl)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-2-methyl-6-[(3-nitrophenyl)methylsulfanyl]-4-pyridin-3-yl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-2-methyl-6-[(3-nitrobenzyl)thio]-4-(3-pyridyl)-3,4-dihydropyridine-5-carbonitrile Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CN=CC=C2)C#N)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-13-19(14(2)26)20(16-6-4-8-23-11-16)18(10-22)21(24-13)29-12-15-5-3-7-17(9-15)25(27)28/h3-9,11,19-20H,12H2,1-2H3/t19?,20-/m1/s1