3-[2,4-bis(chloranyl)-5-phenylmethoxy-phenyl]-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[2,4-bis(chloranyl)-5-phenylmethoxy-phenyl]-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(5-benzyloxy-2,4-dichloro-phenyl)-2-benzylsulfanyl-quinazolin-4-one CAS Name: 3-(2,4-dichloro-5-phenylmethoxyphenyl)-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(2,4-dichloro-5-phenylmethoxyphenyl)quinazolin-4-one Traditional Name: 3-(5-benzoxy-2,4-dichloro-phenyl)-2-(benzylthio)quinazolin-4-one Formula: C28H20Cl2N2O2S MolecularWeight: 519.4416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C(=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CC=CC=C5)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C(=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CC=CC=C5)Cl)Cl

InChI

InChI=1S/C28H20Cl2N2O2S/c29-22-15-23(30)26(34-17-19-9-3-1-4-10-19)16-25(22)32-27(33)21-13-7-8-14-24(21)31-28(32)35-18-20-11-5-2-6-12-20/h1-16H,17-18H2