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

Systemtic Name: 5-ethanoyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-propyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-propyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(3-nitrophenyl)methylthio]-4-propyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-propyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[(3-nitrobenzyl)thio]-4-propyl-1,4-dihydropyridine-3-carbonitrile Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=C(NC(=C1C(=O)C)C)SCC2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCCC1C(=C(NC(=C1C(=O)C)C)SCC2=CC(=CC=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H21N3O3S/c1-4-6-16-17(10-20)19(21-12(2)18(16)13(3)23)26-11-14-7-5-8-15(9-14)22(24)25/h5,7-9,16,21H,4,6,11H2,1-3H3