2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 2-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(phenylthio)phenyl]propionamide Formula: C22H20F3N3OS MolecularWeight: 431.47391

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)N3C(=CC(=N3)C(F)(F)F)C4CC4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)N3C(=CC(=N3)C(F)(F)F)C4CC4

InChI

InChI=1S/C22H20F3N3OS/c1-14(28-18(15-11-12-15)13-20(27-28)22(23,24)25)21(29)26-17-9-5-6-10-19(17)30-16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3,(H,26,29)