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

Systemtic Name: 3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C21H18BrF3N4O3S MolecularWeight: 543.35683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=C(C(=N3)C(F)(F)F)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=C(C(=N3)C(F)(F)F)Br)C

InChI

InChI=1S/C21H18BrF3N4O3S/c1-12-3-5-16(6-4-12)33-17-10-14(9-15(11-17)29(31)32)26-18(30)7-8-28-13(2)19(22)20(27-28)21(23,24)25/h3-6,9-11H,7-8H2,1-2H3,(H,26,30)