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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methyl-quinazolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methyl-quinazolin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-3-methyl-4-quinazolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one Traditional Name: 3-methyl-2-(piperonylthio)quinazolin-4-one Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H14N2O3S/c1-19-16(20)12-4-2-3-5-13(12)18-17(19)23-9-11-6-7-14-15(8-11)22-10-21-14/h2-8H,9-10H2,1H3