N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-4-bromanyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-4-bromanyl-1H-pyrrole-2-carboxamide Openeye Name: 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrrole-2-carboxamide CAS Name: 4-bromo-N-[2-(difluoromethylthio)phenyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-bromo-N-[2-(difluoromethylthio)phenyl]-1H-pyrrole-2-carboxamide Formula: C12H9BrF2N2OS MolecularWeight: 347.178466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=CN2)Br)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=CN2)Br)SC(F)F

InChI

InChI=1S/C12H9BrF2N2OS/c13-7-5-9(16-6-7)11(18)17-8-3-1-2-4-10(8)19-12(14)15/h1-6,12,16H,(H,17,18)