5-ethanoyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-(3-pyridyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(3-nitrophenyl)methylthio]-4-(3-pyridinyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-pyridin-3-yl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[(3-nitrobenzyl)thio]-4-(3-pyridyl)-1,4-dihydropyridine-3-carbonitrile Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C#N)C3=CN=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C#N)C3=CN=CC=C3)C(=O)C

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/h3-9,11,20,24H,12H2,1-2H3