N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C23H21FN4O2S MolecularWeight: 436.501843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN4O2S/c1-23(2,3)18-12-20(30-28-18)25-19(29)13-31-22-17-7-5-4-6-16(17)21(26-27-22)14-8-10-15(24)11-9-14/h4-12H,13H2,1-3H3,(H,25,29)