2-[3-cyano-4-(3-fluorophenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)butanamide

Systemtic Name: 2-[3-cyano-4-(3-fluorophenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)butanamide Openeye Name: 2-[[3-cyano-4-(3-fluorophenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide CAS Name: 2-[[3-cyano-4-(3-fluorophenyl)-6-phenyl-2-pyridinyl]thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide IUPAC Name: 2-[3-cyano-4-(3-fluorophenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide Traditional Name: 2-[[3-cyano-4-(3-fluorophenyl)-6-phenyl-2-pyridyl]thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)butyramide Formula: C31H24FN5O2S MolecularWeight: 549.617963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)SC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC(=CC=C5)F)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)SC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC(=CC=C5)F)C#N

InChI

InChI=1S/C31H24FN5O2S/c1-2-27(30(39)35-28-18-29(38)37(36-28)23-14-7-4-8-15-23)40-31-25(19-33)24(21-12-9-13-22(32)16-21)17-26(34-31)20-10-5-3-6-11-20/h3-18,27,36H,2H2,1H3,(H,35,39)