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

Systemtic Name: 3-(3-butoxyphenyl)carbonyl-6-iodanyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(3-butoxybenzoyl)-6-iodo-2-thioxo-quinazolin-4-olate CAS Name: 3-[(3-butoxyphenyl)-oxomethyl]-6-iodo-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(3-butoxybenzoyl)-6-iodo-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(3-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=CC(=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)I)[O-]

Isomeric SMILES

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

InChI

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