6-bromanyl-3-(4-methoxyphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-bromanyl-3-(4-methoxyphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-bromo-3-(4-methoxybenzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 6-bromo-3-[(4-methoxyphenyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-3-(4-methoxybenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-bromo-3-p-anisoyl-2-thioxo-quinazolin-4-olate Formula: C16H10BrN2O3S- MolecularWeight: 390.2312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

InChI

InChI=1S/C16H11BrN2O3S/c1-22-11-5-2-9(3-6-11)14(20)19-15(21)12-8-10(17)4-7-13(12)18-16(19)23/h2-8,21H,1H3/p-1