4-fluoranyl-N-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl]-N-(2-pyridin-2-ylethyl)benzamide

Systemtic Name: 4-fluoranyl-N-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl]-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 4-fluoro-N-[[5-nitro-2-(p-tolylsulfanyl)phenyl]methyl]-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 4-fluoro-N-[[2-[(4-methylphenyl)thio]-5-nitrophenyl]methyl]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 4-fluoro-N-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 4-fluoro-N-[5-nitro-2-(p-tolylthio)benzyl]-N-[2-(2-pyridyl)ethyl]benzamide Formula: C28H24FN3O3S MolecularWeight: 501.571863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])CN(CCC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])CN(CCC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H24FN3O3S/c1-20-5-12-26(13-6-20)36-27-14-11-25(32(34)35)18-22(27)19-31(17-15-24-4-2-3-16-30-24)28(33)21-7-9-23(29)10-8-21/h2-14,16,18H,15,17,19H2,1H3