2-[(2-fluorophenyl)methylsulfanyl]-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one CAS Name: 2-[(2-fluorophenyl)methylthio]-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Traditional Name: 2-[(2-fluorobenzyl)thio]-3-(3-pyrrolidinosulfonylphenyl)quinazolin-4-one Formula: C25H22FN3O3S2 MolecularWeight: 495.588883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CC=CC=C5F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CC=CC=C5F

InChI

InChI=1S/C25H22FN3O3S2/c26-22-12-3-1-8-18(22)17-33-25-27-23-13-4-2-11-21(23)24(30)29(25)19-9-7-10-20(16-19)34(31,32)28-14-5-6-15-28/h1-4,7-13,16H,5-6,14-15,17H2