4-tert-butyl-N-[2-[5-nitro-3-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[5-nitro-3-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[[5-nitro-3-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-[[5-nitro-3-(trifluoromethyl)-2-pyridinyl]thio]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[5-nitro-3-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[[5-nitro-3-(trifluoromethyl)-2-pyridyl]thio]phenyl]benzamide Formula: C23H20F3N3O3S MolecularWeight: 475.48341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=NC=C(C=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC3=NC=C(C=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H20F3N3O3S/c1-22(2,3)15-10-8-14(9-11-15)20(30)28-18-6-4-5-7-19(18)33-21-17(23(24,25)26)12-16(13-27-21)29(31)32/h4-13H,1-3H3,(H,28,30)