6-iodanyl-3-(4-methoxy-3-nitro-phenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-iodanyl-3-(4-methoxy-3-nitro-phenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-iodo-3-(4-methoxy-3-nitro-benzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 6-iodo-3-[(4-methoxy-3-nitrophenyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-iodo-3-(4-methoxy-3-nitrobenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-iodo-3-(4-methoxy-3-nitro-benzoyl)-2-thioxo-quinazolin-4-olate Formula: C16H9IN3O5S- MolecularWeight: 482.22923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)I)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)I)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10IN3O5S/c1-25-13-5-2-8(6-12(13)20(23)24)14(21)19-15(22)10-7-9(17)3-4-11(10)18-16(19)26/h2-7,22H,1H3/p-1