2-[2-(5-bromanyl-1H-indol-3-yl)ethyl]-3-(4-methylsulfanylphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(5-bromanyl-1H-indol-3-yl)ethyl]-3-(4-methylsulfanylphenyl)quinazolin-4-one Openeye Name: 2-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(4-methylsulfanylphenyl)quinazolin-4-one CAS Name: 2-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-[4-(methylthio)phenyl]-4-quinazolinone IUPAC Name: 2-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(4-methylsulfanylphenyl)quinazolin-4-one Traditional Name: 2-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-[4-(methylthio)phenyl]quinazolin-4-one Formula: C25H20BrN3OS MolecularWeight: 490.4148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

CSC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C25H20BrN3OS/c1-31-19-10-8-18(9-11-19)29-24(28-23-5-3-2-4-20(23)25(29)30)13-6-16-15-27-22-12-7-17(26)14-21(16)22/h2-5,7-12,14-15,27H,6,13H2,1H3