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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3OS/c1-14(2)11-12-23-19(26)13-27-21-18-6-4-3-5-17(18)20(24-25-21)15-7-9-16(22)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,23,26)