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

Systemtic Name: 6-bromanyl-3-(3-iodanylphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-bromo-3-(3-iodobenzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 6-bromo-3-[(3-iodophenyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-3-(3-iodobenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-bromo-3-(3-iodobenzoyl)-2-thioxo-quinazolin-4-olate Formula: C15H7BrIN2O2S- MolecularWeight: 486.10175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H8BrIN2O2S/c16-9-4-5-12-11(7-9)14(21)19(15(22)18-12)13(20)8-2-1-3-10(17)6-8/h1-7,21H/p-1