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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-phenyl-quinazolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-phenyl-quinazolin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-3-phenyl-4-quinazolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-phenylquinazolin-4-one Traditional Name: 3-phenyl-2-(piperonylthio)quinazolin-4-one Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C22H16N2O3S/c25-21-17-8-4-5-9-18(17)23-22(24(21)16-6-2-1-3-7-16)28-13-15-10-11-19-20(12-15)27-14-26-19/h1-12H,13-14H2