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

Systemtic Name: 5-ethanoyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(3-nitrophenyl)methylthio]-4-phenyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[(3-nitrobenzyl)thio]-4-phenyl-1,4-dihydropyridine-3-carbonitrile Formula: C22H19N3O3S MolecularWeight: 405.46956

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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=CC=CC=C3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-14-20(15(2)26)21(17-8-4-3-5-9-17)19(12-23)22(24-14)29-13-16-7-6-10-18(11-16)25(27)28/h3-11,21,24H,13H2,1-2H3