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

Systemtic Name: 2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide Openeye Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide CAS Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(2-mercaptoethyl)propanamide IUPAC Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide Traditional Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-mercaptoethyl)propionamide Formula: C12H15BrF3N3OS MolecularWeight: 386.23121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCS)N1C(=C(C(=N1)C(F)(F)F)Br)C2CC2

Isomeric SMILES

CC(C(=O)NCCS)N1C(=C(C(=N1)C(F)(F)F)Br)C2CC2

InChI

InChI=1S/C12H15BrF3N3OS/c1-6(11(20)17-4-5-21)19-9(7-2-3-7)8(13)10(18-19)12(14,15)16/h6-7,21H,2-5H2,1H3,(H,17,20)