N-(cyanomethyl)-2-[4-(5-fluoranyl-2-methoxy-phenyl)phenyl]sulfanyl-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[4-(5-fluoranyl-2-methoxy-phenyl)phenyl]sulfanyl-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[4-(5-fluoro-2-methoxy-phenyl)phenyl]sulfanyl-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]thio]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[4-(5-fluoro-2-methoxyphenyl)phenyl]sulfanyl-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-(5-fluoro-2-methoxy-phenyl)phenyl]thio]-4-methyl-valeramide Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=C(C=CC(=C2)F)OC

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C21H23FN2O2S/c1-14(2)12-20(21(25)24-11-10-23)27-17-7-4-15(5-8-17)18-13-16(22)6-9-19(18)26-3/h4-9,13-14,20H,11-12H2,1-3H3,(H,24,25)