3-[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonyl-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonyl-6-iodanyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3,5-dichloro-4-methoxy-benzoyl)-6-iodo-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(3,5-dichloro-4-methoxyphenyl)-oxomethyl]-6-iodo-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3,5-dichloro-4-methoxybenzoyl)-6-iodo-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3,5-dichloro-4-methoxy-benzoyl)-6-iodo-2-thioxo-1H-quinazolin-4-one Formula: C16H9Cl2IN2O3S MolecularWeight: 507.12973

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)N2C(=O)C3=C(C=CC(=C3)I)NC2=S)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)N2C(=O)C3=C(C=CC(=C3)I)NC2=S)Cl

InChI

InChI=1S/C16H9Cl2IN2O3S/c1-24-13-10(17)4-7(5-11(13)18)14(22)21-15(23)9-6-8(19)2-3-12(9)20-16(21)25/h2-6H,1H3,(H,20,25)