3-(1,3-benzodioxol-5-ylcarbonyl)-6-bromanyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonyl)-6-bromanyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(1,3-benzodioxole-5-carbonyl)-6-bromo-2-thioxo-quinazolin-4-olate CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-6-bromo-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(1,3-benzodioxole-5-carbonyl)-6-bromo-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-bromo-3-piperonyloyl-2-thioxo-quinazolin-4-olate Formula: C16H8BrN2O4S- MolecularWeight: 404.21472

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)N3C(=C4C=C(C=CC4=NC3=S)Br)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N3C(=C4C=C(C=CC4=NC3=S)Br)[O-]

InChI

InChI=1S/C16H9BrN2O4S/c17-9-2-3-11-10(6-9)15(21)19(16(24)18-11)14(20)8-1-4-12-13(5-8)23-7-22-12/h1-6,21H,7H2/p-1