2-[2-(3-bromanylphenoxy)ethylsulfanyl]-3-pyridin-3-yl-quinazolin-4-one

Systemtic Name: 2-[2-(3-bromanylphenoxy)ethylsulfanyl]-3-pyridin-3-yl-quinazolin-4-one Openeye Name: 2-[2-(3-bromophenoxy)ethylsulfanyl]-3-(3-pyridyl)quinazolin-4-one CAS Name: 2-[2-(3-bromophenoxy)ethylthio]-3-(3-pyridinyl)-4-quinazolinone IUPAC Name: 2-[2-(3-bromophenoxy)ethylsulfanyl]-3-pyridin-3-ylquinazolin-4-one Traditional Name: 2-[2-(3-bromophenoxy)ethylthio]-3-(3-pyridyl)quinazolin-4-one Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCOC3=CC(=CC=C3)Br)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCOC3=CC(=CC=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C21H16BrN3O2S/c22-15-5-3-7-17(13-15)27-11-12-28-21-24-19-9-2-1-8-18(19)20(26)25(21)16-6-4-10-23-14-16/h1-10,13-14H,11-12H2