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

Systemtic Name: 2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C23H20BrF3N4O3S MolecularWeight: 569.39411

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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(=C(C(=N3)C(F)(F)F)Br)C4CC4

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrF3N4O3S/c1-12-3-7-17(8-4-12)35-18-10-15(9-16(11-18)31(33)34)28-22(32)13(2)30-20(14-5-6-14)19(24)21(29-30)23(25,26)27/h3-4,7-11,13-14H,5-6H2,1-2H3,(H,28,32)