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

Systemtic Name: 3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 3-[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)CCN3C(=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)CCN3C(=C(C(=N3)C(F)(F)F)Br)C4CC4

InChI

InChI=1S/C23H20BrF3N4O3S/c1-13-2-6-17(7-3-13)35-18-11-15(10-16(12-18)31(33)34)28-19(32)8-9-30-21(14-4-5-14)20(24)22(29-30)23(25,26)27/h2-3,6-7,10-12,14H,4-5,8-9H2,1H3,(H,28,32)