2-[(6-bromanyl-3-methanoyl-4-oxidanylidene-chromen-8-yl)methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[(6-bromanyl-3-methanoyl-4-oxidanylidene-chromen-8-yl)methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[(6-bromo-3-formyl-4-oxo-chromen-8-yl)methylsulfanyl]quinazolin-4-olate CAS Name: 2-[(6-bromo-3-formyl-4-oxo-1-benzopyran-8-yl)methylthio]-4-quinazolinolate IUPAC Name: 2-[(6-bromo-3-formyl-4-oxochromen-8-yl)methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[(6-bromo-3-formyl-4-keto-chromen-8-yl)methylthio]quinazolin-4-olate Formula: C19H10BrN2O4S- MolecularWeight: 442.2627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=C4C(=CC(=C3)Br)C(=O)C(=CO4)C=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=C4C(=CC(=C3)Br)C(=O)C(=CO4)C=O)[O-]

InChI

InChI=1S/C19H11BrN2O4S/c20-12-5-10(17-14(6-12)16(24)11(7-23)8-26-17)9-27-19-21-15-4-2-1-3-13(15)18(25)22-19/h1-8H,9H2,(H,21,22,25)/p-1