N-[1-(4-cyano-3-fluoranyl-phenyl)-1-(3-methylimidazol-4-yl)ethyl]-2-methyl-propane-2-sulfinamide

Systemtic Name: N-[1-(4-cyano-3-fluoranyl-phenyl)-1-(3-methylimidazol-4-yl)ethyl]-2-methyl-propane-2-sulfinamide Openeye Name: N-[1-(4-cyano-3-fluoro-phenyl)-1-(3-methylimidazol-4-yl)ethyl]-2-methyl-propane-2-sulfinamide CAS Name: N-[1-(4-cyano-3-fluorophenyl)-1-(3-methyl-4-imidazolyl)ethyl]-2-methyl-2-propanesulfinamide IUPAC Name: N-[1-(4-cyano-3-fluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]-2-methylpropane-2-sulfinamide Traditional Name: N-[1-(4-cyano-3-fluoro-phenyl)-1-(3-methylimidazol-4-yl)ethyl]-2-methyl-propane-2-sulfinamide Formula: C17H21FN4OS MolecularWeight: 348.438243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)NC(C)(C1=CC(=C(C=C1)C#N)F)C2=CN=CN2C

Isomeric SMILES

CC(C)(C)[S@@](=O)NC(C)(C1=CC(=C(C=C1)C#N)F)C2=CN=CN2C

InChI

InChI=1S/C17H21FN4OS/c1-16(2,3)24(23)21-17(4,15-10-20-11-22(15)5)13-7-6-12(9-19)14(18)8-13/h6-8,10-11,21H,1-5H3/t17?,24-/m1/s1