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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Openeye Name: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propanamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide Traditional Name: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C21H19F3N4O3S MolecularWeight: 464.46077

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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)C

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)C

InChI

InChI=1S/C21H19F3N4O3S/c1-12-4-6-17(7-5-12)32-18-10-15(9-16(11-18)28(30)31)25-20(29)14(3)27-13(2)8-19(26-27)21(22,23)24/h4-11,14H,1-3H3,(H,25,29)