1-(4-fluorophenyl)-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]phthalazine

Systemtic Name: 1-(4-fluorophenyl)-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]phthalazine Openeye Name: 1-(4-fluorophenyl)-4-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]phthalazine CAS Name: 1-(4-fluorophenyl)-4-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]phthalazine IUPAC Name: 1-(4-fluorophenyl)-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]phthalazine Traditional Name: 1-(4-fluorophenyl)-4-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]phthalazine Formula: C23H20FN3O3S2 MolecularWeight: 469.551603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H20FN3O3S2/c24-17-9-7-16(8-10-17)22-19-5-1-2-6-20(19)23(26-25-22)31-15-18-11-12-21(30-18)32(28,29)27-13-3-4-14-27/h1-2,5-12H,3-4,13-15H2