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

Systemtic Name: 6-bromanyl-2-sulfanylidene-3-(3,4,5-trimethoxyphenyl)carbonyl-quinazolin-4-olate Openeye Name: 6-bromo-2-thioxo-3-(3,4,5-trimethoxybenzoyl)quinazolin-4-olate CAS Name: 6-bromo-3-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-2-sulfanylidene-3-(3,4,5-trimethoxybenzoyl)quinazolin-4-olate Traditional Name: 6-bromo-2-thioxo-3-(3,4,5-trimethoxybenzoyl)quinazolin-4-olate Formula: C18H14BrN2O5S- MolecularWeight: 450.28316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

InChI

InChI=1S/C18H15BrN2O5S/c1-24-13-6-9(7-14(25-2)15(13)26-3)16(22)21-17(23)11-8-10(19)4-5-12(11)20-18(21)27/h4-8,23H,1-3H3/p-1