6-bromanyl-3-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 6-bromanyl-3-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-6-bromo-3-(4-methoxyphenyl)quinazolin-4-one CAS Name: 6-bromo-3-(4-methoxyphenyl)-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-6-bromo-3-(4-methoxyphenyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-6-bromo-3-(4-methoxyphenyl)quinazolin-4-one Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C22H17BrN2O2S/c1-27-18-10-8-17(9-11-18)25-21(26)19-13-16(23)7-12-20(19)24-22(25)28-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3