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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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