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

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-N-[(1-tert-butylpyrazol-4-yl)methyl]aniline Openeye Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(difluoromethylsulfanyl)aniline CAS Name: N-[(1-tert-butyl-4-pyrazolyl)methyl]-2-(difluoromethylthio)aniline IUPAC Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(difluoromethylsulfanyl)aniline Traditional Name: (1-tert-butylpyrazol-4-yl)methyl-[2-(difluoromethylthio)phenyl]amine Formula: C15H19F2N3S MolecularWeight: 311.393266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C=N1)CNC2=CC=CC=C2SC(F)F

Isomeric SMILES

CC(C)(C)N1C=C(C=N1)CNC2=CC=CC=C2SC(F)F

InChI

InChI=1S/C15H19F2N3S/c1-15(2,3)20-10-11(9-19-20)8-18-12-6-4-5-7-13(12)21-14(16)17/h4-7,9-10,14,18H,8H2,1-3H3