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

Systemtic Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide Openeye Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide CAS Name: 2-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(2-mercaptoethyl)propanamide IUPAC Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide Traditional Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-mercaptoethyl)propionamide Formula: C12H16F3N3OS MolecularWeight: 307.33515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16F3N3OS/c1-7(11(19)16-4-5-20)18-9(8-2-3-8)6-10(17-18)12(13,14)15/h6-8,20H,2-5H2,1H3,(H,16,19)