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

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Openeye Name: 2-(o-tolylmethylsulfanyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one CAS Name: 2-[(2-methylphenyl)methylthio]-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Traditional Name: 2-[(2-methylbenzyl)thio]-3-(3-pyrrolidinosulfonylphenyl)quinazolin-4-one Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C26H25N3O3S2/c1-19-9-2-3-10-20(19)18-33-26-27-24-14-5-4-13-23(24)25(30)29(26)21-11-8-12-22(17-21)34(31,32)28-15-6-7-16-28/h2-5,8-14,17H,6-7,15-16,18H2,1H3