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

Systemtic Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 2-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C23H21F3N4O3S MolecularWeight: 490.49805

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)N3C(=CC(=N3)C(F)(F)F)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C(=CC(=N3)C(F)(F)F)C4CC4

InChI

InChI=1S/C23H21F3N4O3S/c1-13-3-7-18(8-4-13)34-19-10-16(9-17(11-19)30(32)33)27-22(31)14(2)29-20(15-5-6-15)12-21(28-29)23(24,25)26/h3-4,7-12,14-15H,5-6H2,1-2H3,(H,27,31)