2-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

Systemtic Name: 2-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Openeye Name: 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 2-methyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propanamide IUPAC Name: 2-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Traditional Name: 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C22H21F3N4O3S MolecularWeight: 478.48735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)CN3C(=CC(=N3)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)CN3C(=CC(=N3)C(F)(F)F)C

InChI

InChI=1S/C22H21F3N4O3S/c1-13-4-6-18(7-5-13)33-19-10-16(9-17(11-19)29(31)32)26-21(30)14(2)12-28-15(3)8-20(27-28)22(23,24)25/h4-11,14H,12H2,1-3H3,(H,26,30)