6-iodanyl-3-(4-propoxyphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-iodanyl-3-(4-propoxyphenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-iodo-3-(4-propoxybenzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 6-iodo-3-[oxo-(4-propoxyphenyl)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-iodo-3-(4-propoxybenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-iodo-3-(4-propoxybenzoyl)-2-thioxo-quinazolin-4-olate Formula: C18H14IN2O3S- MolecularWeight: 465.28483

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)I)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)I)[O-]

InChI

InChI=1S/C18H15IN2O3S/c1-2-9-24-13-6-3-11(4-7-13)16(22)21-17(23)14-10-12(19)5-8-15(14)20-18(21)25/h3-8,10,23H,2,9H2,1H3/p-1