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

Systemtic Name: N-[1-(4-cyano-3-fluoranyl-phenyl)-1-pyridin-3-yl-ethyl]-2-methyl-propane-1-sulfinamide Openeye Name: N-[1-(4-cyano-3-fluoro-phenyl)-1-(3-pyridyl)ethyl]-2-methyl-propane-1-sulfinamide CAS Name: N-[1-(4-cyano-3-fluorophenyl)-1-(3-pyridinyl)ethyl]-2-methyl-1-propanesulfinamide IUPAC Name: N-[1-(4-cyano-3-fluorophenyl)-1-pyridin-3-ylethyl]-2-methylpropane-1-sulfinamide Traditional Name: N-[1-(4-cyano-3-fluoro-phenyl)-1-(3-pyridyl)ethyl]-2-methyl-propane-1-sulfinamide Formula: C18H20FN3OS MolecularWeight: 345.434303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3OS/c1-13(2)12-24(23)22-18(3,16-5-4-8-21-11-16)15-7-6-14(10-20)17(19)9-15/h4-9,11,13,22H,12H2,1-3H3