2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C20H17FN4O2S MolecularWeight: 396.437983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN4O2S/c1-2-11-22-20(27)23-17(26)12-28-19-16-6-4-3-5-15(16)18(24-25-19)13-7-9-14(21)10-8-13/h2-10H,1,11-12H2,(H2,22,23,26,27)