N-(2-cyano-3-methyl-butan-2-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C22H21FN4OS MolecularWeight: 408.491743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN4OS/c1-14(2)22(3,13-24)25-19(28)12-29-21-18-7-5-4-6-17(18)20(26-27-21)15-8-10-16(23)11-9-15/h4-11,14H,12H2,1-3H3,(H,25,28)