2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C21H17FN4O2S MolecularWeight: 408.448683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN4O2S/c1-12-11-18(26-28-12)23-20(27)13(2)29-21-17-6-4-3-5-16(17)19(24-25-21)14-7-9-15(22)10-8-14/h3-11,13H,1-2H3,(H,23,26,27)