N-[(4-fluorophenyl)-[4-(phenylmethylsulfanyl)phenyl]methyl]-2-phenylazanyl-pyridine-3-carboxamide

Systemtic Name: N-[(4-fluorophenyl)-[4-(phenylmethylsulfanyl)phenyl]methyl]-2-phenylazanyl-pyridine-3-carboxamide Openeye Name: 2-anilino-N-[(4-benzylsulfanylphenyl)-(4-fluorophenyl)methyl]pyridine-3-carboxamide CAS Name: 2-anilino-N-[(4-fluorophenyl)-[4-(phenylmethylthio)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-anilino-N-[(4-benzylsulfanylphenyl)-(4-fluorophenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-anilino-N-[[4-(benzylthio)phenyl]-(4-fluorophenyl)methyl]nicotinamide Formula: C32H26FN3OS MolecularWeight: 519.631743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=C(C=C2)C(C3=CC=C(C=C3)F)NC(=O)C4=C(N=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=C(C=C2)C(C3=CC=C(C=C3)F)NC(=O)C4=C(N=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C32H26FN3OS/c33-26-17-13-24(14-18-26)30(25-15-19-28(20-16-25)38-22-23-8-3-1-4-9-23)36-32(37)29-12-7-21-34-31(29)35-27-10-5-2-6-11-27/h1-21,30H,22H2,(H,34,35)(H,36,37)