2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-3-[(4-methylphenyl)methyl]-4-quinazolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one Traditional Name: 3-(4-methylbenzyl)-2-(piperonylthio)quinazolin-4-one Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H20N2O3S/c1-16-6-8-17(9-7-16)13-26-23(27)19-4-2-3-5-20(19)25-24(26)30-14-18-10-11-21-22(12-18)29-15-28-21/h2-12H,13-15H2,1H3