6,8-bis(chloranyl)-3-(4-methoxy-3-nitro-phenyl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6,8-bis(chloranyl)-3-(4-methoxy-3-nitro-phenyl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,8-dichloro-3-(4-methoxy-3-nitro-benzoyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6,8-dichloro-3-[(4-methoxy-3-nitrophenyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,8-dichloro-3-(4-methoxy-3-nitrobenzoyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,8-dichloro-3-(4-methoxy-3-nitro-benzoyl)-2-thioxo-1H-quinazolin-4-one Formula: C16H9Cl2N3O5S MolecularWeight: 426.23076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2C(=O)C3=CC(=CC(=C3NC2=S)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2C(=O)C3=CC(=CC(=C3NC2=S)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H9Cl2N3O5S/c1-26-12-3-2-7(4-11(12)21(24)25)14(22)20-15(23)9-5-8(17)6-10(18)13(9)19-16(20)27/h2-6H,1H3,(H,19,27)