3-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-(1-methylpyrazol-3-yl)propanamide

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]sulfanyl-N-(1-methylpyrazol-3-yl)propanamide Openeye Name: 3-(3,4-difluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)propanamide CAS Name: 3-[(3,4-difluorophenyl)thio]-N-(1-methyl-3-pyrazolyl)propanamide IUPAC Name: 3-(3,4-difluorophenyl)sulfanyl-N-(1-methylpyrazol-3-yl)propanamide Traditional Name: 3-[(3,4-difluorophenyl)thio]-N-(1-methylpyrazol-3-yl)propionamide Formula: C13H13F2N3OS MolecularWeight: 297.323626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)CCSC2=CC(=C(C=C2)F)F

Isomeric SMILES

CN1C=CC(=N1)NC(=O)CCSC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C13H13F2N3OS/c1-18-6-4-12(17-18)16-13(19)5-7-20-9-2-3-10(14)11(15)8-9/h2-4,6,8H,5,7H2,1H3,(H,16,17,19)