3-(4-ethoxy-3-nitro-phenyl)carbonyl-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(4-ethoxy-3-nitro-phenyl)carbonyl-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(4-ethoxy-3-nitro-benzoyl)-6-iodo-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(4-ethoxy-3-nitrophenyl)-oxomethyl]-6-iodo-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(4-ethoxy-3-nitrobenzoyl)-6-iodo-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(4-ethoxy-3-nitro-benzoyl)-6-iodo-2-thioxo-1H-quinazolin-4-one Formula: C17H12IN3O5S MolecularWeight: 497.26375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2C(=O)C3=C(C=CC(=C3)I)NC2=S)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2C(=O)C3=C(C=CC(=C3)I)NC2=S)[N+](=O)[O-]

InChI

InChI=1S/C17H12IN3O5S/c1-2-26-14-6-3-9(7-13(14)21(24)25)15(22)20-16(23)11-8-10(18)4-5-12(11)19-17(20)27/h3-8H,2H2,1H3,(H,19,27)