6-iodanyl-3-(2-phenoxyethanoyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-iodanyl-3-(2-phenoxyethanoyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-iodo-3-(2-phenoxyacetyl)-2-thioxo-quinazolin-4-olate CAS Name: 6-iodo-3-(1-oxo-2-phenoxyethyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-iodo-3-(2-phenoxyacetyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-iodo-3-(2-phenoxyacetyl)-2-thioxo-quinazolin-4-olate Formula: C16H10IN2O3S- MolecularWeight: 437.23167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11IN2O3S/c17-10-6-7-13-12(8-10)15(21)19(16(23)18-13)14(20)9-22-11-4-2-1-3-5-11/h1-8,21H,9H2/p-1