2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(3-methylbutan-2-yl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(3-methylbutan-2-yl)ethanamide Openeye Name: N-(1,2-dimethylpropyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-(3-methylbutan-2-yl)acetamide IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(3-methylbutan-2-yl)acetamide Traditional Name: N-(1,2-dimethylpropyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3OS/c1-13(2)14(3)23-19(26)12-27-21-18-7-5-4-6-17(18)20(24-25-21)15-8-10-16(22)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,23,26)