2-[(4-bromophenyl)methylsulfanyl]-3-(3,4-dimethoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3,4-dimethoxyphenyl)quinazolin-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3,4-dimethoxyphenyl)quinazolin-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-3-(3,4-dimethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3,4-dimethoxyphenyl)quinazolin-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-3-(3,4-dimethoxyphenyl)quinazolin-4-one Formula: C23H19BrN2O3S MolecularWeight: 483.37756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O3S/c1-28-20-12-11-17(13-21(20)29-2)26-22(27)18-5-3-4-6-19(18)25-23(26)30-14-15-7-9-16(24)10-8-15/h3-13H,14H2,1-2H3