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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3OS/c1-3-16(4-2)23-19(26)13-27-21-18-8-6-5-7-17(18)20(24-25-21)14-9-11-15(22)12-10-14/h5-12,16H,3-4,13H2,1-2H3,(H,23,26)