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

Systemtic Name: 3-[2,4-bis(chloranyl)-5-methoxy-phenyl]-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(2,4-dichloro-5-methoxy-phenyl)quinazolin-4-one CAS Name: 3-(2,4-dichloro-5-methoxyphenyl)-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(2,4-dichloro-5-methoxyphenyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(2,4-dichloro-5-methoxy-phenyl)quinazolin-4-one Formula: C22H16Cl2N2O2S MolecularWeight: 443.34564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4)Cl)Cl

InChI

InChI=1S/C22H16Cl2N2O2S/c1-28-20-12-19(16(23)11-17(20)24)26-21(27)15-9-5-6-10-18(15)25-22(26)29-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3