2-[bis(fluoranyl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline Openeye Name: 2-(difluoromethylsulfanyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline CAS Name: 2-(difluoromethylthio)-N-[(1-methyl-4-pyrazolyl)methyl]aniline IUPAC Name: 2-(difluoromethylsulfanyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline Traditional Name: [2-(difluoromethylthio)phenyl]-[(1-methylpyrazol-4-yl)methyl]amine Formula: C12H13F2N3S MolecularWeight: 269.313526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=CC=CC=C2SC(F)F

Isomeric SMILES

CN1C=C(C=N1)CNC2=CC=CC=C2SC(F)F

InChI

InChI=1S/C12H13F2N3S/c1-17-8-9(7-16-17)6-15-10-4-2-3-5-11(10)18-12(13)14/h2-5,7-8,12,15H,6H2,1H3