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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(3-bromobenzyl)thio]-3-piperonyl-quinazolin-4-one Formula: C23H17BrN2O3S MolecularWeight: 481.36168

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)Br

InChI

InChI=1S/C23H17BrN2O3S/c24-17-5-3-4-16(10-17)13-30-23-25-19-7-2-1-6-18(19)22(27)26(23)12-15-8-9-20-21(11-15)29-14-28-20/h1-11H,12-14H2