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

Systemtic Name: 2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(phenylthio)phenyl]acetamide Formula: C21H17BrF3N3OS MolecularWeight: 496.34339

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=NN2CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(F)(F)F)Br

Isomeric SMILES

C1CC1C2=C(C(=NN2CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(F)(F)F)Br

InChI

InChI=1S/C21H17BrF3N3OS/c22-18-19(13-10-11-13)28(27-20(18)21(23,24)25)12-17(29)26-15-8-4-5-9-16(15)30-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,26,29)