3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(o-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(2-methylbenzyl)thio]-3-piperonyl-quinazolin-4-one Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

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