N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C22H19FN4OS MolecularWeight: 406.475863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN4OS/c1-22(13-24,15-8-9-15)25-19(28)12-29-21-18-5-3-2-4-17(18)20(26-27-21)14-6-10-16(23)11-7-14/h2-7,10-11,15H,8-9,12H2,1H3,(H,25,28)/t22-/m0/s1