3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(o-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(2-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(2-methylbenzyl)thio]quinazolin-4-one Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H22N2O3S/c1-17-8-2-3-9-18(17)16-31-25-26-21-11-5-4-10-20(21)24(28)27(25)14-19-15-29-22-12-6-7-13-23(22)30-19/h2-13,19H,14-16H2,1H3