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

Systemtic Name: 6-bromanyl-3-(4-phenylmethoxyphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(4-benzyloxybenzoyl)-6-bromo-2-thioxo-quinazolin-4-olate CAS Name: 6-bromo-3-[oxo-(4-phenylmethoxyphenyl)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-3-(4-phenylmethoxybenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(4-benzoxybenzoyl)-6-bromo-2-thioxo-quinazolin-4-olate Formula: C22H14BrN2O3S- MolecularWeight: 466.32716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N3C(=C4C=C(C=CC4=NC3=S)Br)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N3C(=C4C=C(C=CC4=NC3=S)Br)[O-]

InChI

InChI=1S/C22H15BrN2O3S/c23-16-8-11-19-18(12-16)21(27)25(22(29)24-19)20(26)15-6-9-17(10-7-15)28-13-14-4-2-1-3-5-14/h1-12,27H,13H2/p-1