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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(3,5-dimethylphenyl)quinazolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(3,5-dimethylphenyl)quinazolin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-3-(3,5-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(3,5-dimethylphenyl)quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-(piperonylthio)quinazolin-4-one Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O3S/c1-15-9-16(2)11-18(10-15)26-23(27)19-5-3-4-6-20(19)25-24(26)30-13-17-7-8-21-22(12-17)29-14-28-21/h3-12H,13-14H2,1-2H3