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

Systemtic Name: 3-(4-butoxyphenyl)carbonyl-6-iodanyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(4-butoxybenzoyl)-6-iodo-2-thioxo-quinazolin-4-olate CAS Name: 3-[(4-butoxyphenyl)-oxomethyl]-6-iodo-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(4-butoxybenzoyl)-6-iodo-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(4-butoxybenzoyl)-6-iodo-2-thioxo-quinazolin-4-olate Formula: C19H16IN2O3S- MolecularWeight: 479.31141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)I)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)I)[O-]

InChI

InChI=1S/C19H17IN2O3S/c1-2-3-10-25-14-7-4-12(5-8-14)17(23)22-18(24)15-11-13(20)6-9-16(15)21-19(22)26/h4-9,11,24H,2-3,10H2,1H3/p-1