N-(3-fluoranyl-4-methyl-phenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-(4-morpholinophthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholinyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[(4-morpholinophthalazin-1-yl)thio]acetamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)N4CCOCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)N4CCOCC4)F

InChI

InChI=1S/C21H21FN4O2S/c1-14-6-7-15(12-18(14)22)23-19(27)13-29-21-17-5-3-2-4-16(17)20(24-25-21)26-8-10-28-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,23,27)