(4R)-5-ethanoyl-6-methyl-4-(3-nitrophenyl)-2-propylsulfanyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4R)-5-ethanoyl-6-methyl-4-(3-nitrophenyl)-2-propylsulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: (4R)-5-acetyl-6-methyl-4-(3-nitrophenyl)-2-propylsulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: (4R)-5-acetyl-6-methyl-4-(3-nitrophenyl)-2-(propylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: (4R)-5-acetyl-6-methyl-4-(3-nitrophenyl)-2-propylsulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: (4R)-5-acetyl-6-methyl-4-(3-nitrophenyl)-2-(propylthio)-1,4-dihydropyridine-3-carbonitrile Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(C(=C(N1)C)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCCSC1=C([C@@H](C(=C(N1)C)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H19N3O3S/c1-4-8-25-18-15(10-19)17(16(12(3)22)11(2)20-18)13-6-5-7-14(9-13)21(23)24/h5-7,9,17,20H,4,8H2,1-3H3/t17-/m0/s1