2-[(4-bromophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenyl-quinazolin-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenyl-quinazolin-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-6,7,8-trimethoxy-3-phenyl-4-quinazolinone IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-6,7,8-trimethoxy-3-phenyl-quinazolin-4-one Formula: C24H21BrN2O4S MolecularWeight: 513.40354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Br)C4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Br)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C24H21BrN2O4S/c1-29-19-13-18-20(22(31-3)21(19)30-2)26-24(32-14-15-9-11-16(25)12-10-15)27(23(18)28)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3