3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(phenylthio)phenyl]propionamide Formula: C20H17BrF3N3OS MolecularWeight: 484.33269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C(F)(F)F)Br

InChI

InChI=1S/C20H17BrF3N3OS/c1-13-18(21)19(20(22,23)24)26-27(13)12-11-17(28)25-15-9-5-6-10-16(15)29-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,25,28)