N-(1-cyanocyclopentyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN4OS/c23-16-9-7-15(8-10-16)20-17-5-1-2-6-18(17)21(27-26-20)29-13-19(28)25-22(14-24)11-3-4-12-22/h1-2,5-10H,3-4,11-13H2,(H,25,28)