2-[(3-bromophenyl)methylsulfanyl]-3-(3,3-diethoxypropyl)quinazolin-4-one

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-3-(3,3-diethoxypropyl)quinazolin-4-one Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-3-(3,3-diethoxypropyl)quinazolin-4-one CAS Name: 2-[(3-bromophenyl)methylthio]-3-(3,3-diethoxypropyl)-4-quinazolinone IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-3-(3,3-diethoxypropyl)quinazolin-4-one Traditional Name: 2-[(3-bromobenzyl)thio]-3-(3,3-diethoxypropyl)quinazolin-4-one Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)Br)OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)Br)OCC

InChI

InChI=1S/C22H25BrN2O3S/c1-3-27-20(28-4-2)12-13-25-21(26)18-10-5-6-11-19(18)24-22(25)29-15-16-8-7-9-17(23)14-16/h5-11,14,20H,3-4,12-13,15H2,1-2H3