2-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]quinazolin-4-olate CAS Name: 2-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-4-quinazolinolate IUPAC Name: 2-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]quinazolin-4-olate Formula: C23H16BrN2O3S- MolecularWeight: 480.35374

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5C(=N4)[O-])Br

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5C(=N4)[O-])Br

InChI

InChI=1S/C23H17BrN2O3S/c24-17-10-15-12-28-22(14-6-2-1-3-7-14)29-20(15)16(11-17)13-30-23-25-19-9-5-4-8-18(19)21(27)26-23/h1-11,22H,12-13H2,(H,25,26,27)/p-1/t22-/m0/s1