(2R)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(furan-2-ylmethyl)propanamide

Systemtic Name: (2R)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(furan-2-ylmethyl)propanamide Openeye Name: (2R)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-furylmethyl)propanamide CAS Name: (2R)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-(2-furanylmethyl)propanamide IUPAC Name: (2R)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(furan-2-ylmethyl)propanamide Traditional Name: (2R)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-(2-furfuryl)propionamide Formula: C22H18FN3O2S MolecularWeight: 407.460623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3O2S/c1-14(21(27)24-13-17-5-4-12-28-17)29-22-19-7-3-2-6-18(19)20(25-26-22)15-8-10-16(23)11-9-15/h2-12,14H,13H2,1H3,(H,24,27)/t14-/m1/s1