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

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Traditional Name: 2-[(3-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=C5)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)F

InChI

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