6-bromanyl-2-sulfanylidene-3-(3,4,5-triethoxyphenyl)carbonyl-quinazolin-4-olate

Systemtic Name: 6-bromanyl-2-sulfanylidene-3-(3,4,5-triethoxyphenyl)carbonyl-quinazolin-4-olate Openeye Name: 6-bromo-2-thioxo-3-(3,4,5-triethoxybenzoyl)quinazolin-4-olate CAS Name: 6-bromo-3-[oxo-(3,4,5-triethoxyphenyl)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-2-sulfanylidene-3-(3,4,5-triethoxybenzoyl)quinazolin-4-olate Traditional Name: 6-bromo-2-thioxo-3-(3,4,5-triethoxybenzoyl)quinazolin-4-olate Formula: C21H20BrN2O5S- MolecularWeight: 492.3629

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

InChI

InChI=1S/C21H21BrN2O5S/c1-4-27-16-9-12(10-17(28-5-2)18(16)29-6-3)19(25)24-20(26)14-11-13(22)7-8-15(14)23-21(24)30/h7-11,26H,4-6H2,1-3H3/p-1