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

Systemtic Name: 1-phenyl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]phthalazine Openeye Name: 1-phenyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]phthalazine CAS Name: 1-phenyl-4-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]phthalazine IUPAC Name: 1-phenyl-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]phthalazine Traditional Name: 1-phenyl-4-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]phthalazine Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S2/c27-31(28,26-14-6-7-15-26)21-13-12-18(29-21)16-30-23-20-11-5-4-10-19(20)22(24-25-23)17-8-2-1-3-9-17/h1-5,8-13H,6-7,14-16H2