2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-(2-furfurylcarbamoyl)acetamide Formula: C22H17FN4O3S MolecularWeight: 436.458783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN4O3S/c23-15-9-7-14(8-10-15)20-17-5-1-2-6-18(17)21(27-26-20)31-13-19(28)25-22(29)24-12-16-4-3-11-30-16/h1-11H,12-13H2,(H2,24,25,28,29)