2-(phenylmethylsulfanyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one

Systemtic Name: 2-(phenylmethylsulfanyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one CAS Name: 2-(phenylmethylthio)-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(3-pyrrolidinosulfonylphenyl)quinazolin-4-one Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S2/c29-24-22-13-4-5-14-23(22)26-25(32-18-19-9-2-1-3-10-19)28(24)20-11-8-12-21(17-20)33(30,31)27-15-6-7-16-27/h1-5,8-14,17H,6-7,15-16,18H2