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

Systemtic Name: 3-(4-ethylphenyl)carbonyl-6-iodanyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(4-ethylbenzoyl)-6-iodo-2-thioxo-quinazolin-4-olate CAS Name: 3-[(4-ethylphenyl)-oxomethyl]-6-iodo-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(4-ethylbenzoyl)-6-iodo-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(4-ethylbenzoyl)-6-iodo-2-thioxo-quinazolin-4-olate Formula: C17H12IN2O2S- MolecularWeight: 435.25885

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)I)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2C(=C3C=C(C=CC3=NC2=S)I)[O-]

InChI

InChI=1S/C17H13IN2O2S/c1-2-10-3-5-11(6-4-10)15(21)20-16(22)13-9-12(18)7-8-14(13)19-17(20)23/h3-9,22H,2H2,1H3/p-1