1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 2-(2-benzylquinazolin-4-yl)sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Traditional Name: 2-[(2-benzylquinazolin-4-yl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H20N2O3S/c28-21(18-10-11-22-23(15-18)30-13-12-29-22)16-31-25-19-8-4-5-9-20(19)26-24(27-25)14-17-6-2-1-3-7-17/h1-11,15H,12-14,16H2