5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-4-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-4-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-4-(4-pyridyl)pyridine-3-carboxamide CAS Name: 5-cyano-2-methyl-6-(phenacylthio)-N-phenyl-4-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-4-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 5-cyano-2-methyl-6-(phenacylthio)-N-phenyl-4-(4-pyridyl)nicotinamide Formula: C27H20N4O2S MolecularWeight: 464.5383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=NC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=NC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H20N4O2S/c1-18-24(26(33)31-21-10-6-3-7-11-21)25(20-12-14-29-15-13-20)22(16-28)27(30-18)34-17-23(32)19-8-4-2-5-9-19/h2-15H,17H2,1H3,(H,31,33)