4,6-dimethyl-5-phenacyl-2-phenacylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-5-phenacyl-2-phenacylsulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-5-phenacyl-2-phenacylsulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-5-phenacyl-2-(phenacylthio)-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-5-phenacyl-2-phenacylsulfanylpyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-5-phenacyl-2-(phenacylthio)nicotinonitrile Formula: C24H20N2O2S MolecularWeight: 400.4928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1CC(=O)C2=CC=CC=C2)C)SCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1CC(=O)C2=CC=CC=C2)C)SCC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H20N2O2S/c1-16-20(13-22(27)18-9-5-3-6-10-18)17(2)26-24(21(16)14-25)29-15-23(28)19-11-7-4-8-12-19/h3-12H,13,15H2,1-2H3