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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(4-methylphenyl)quinazolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(p-tolyl)quinazolin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-3-(4-methylphenyl)-4-quinazolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(4-methylphenyl)quinazolin-4-one Traditional Name: 2-(piperonylthio)-3-(p-tolyl)quinazolin-4-one Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H18N2O3S/c1-15-6-9-17(10-7-15)25-22(26)18-4-2-3-5-19(18)24-23(25)29-13-16-8-11-20-21(12-16)28-14-27-20/h2-12H,13-14H2,1H3