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

Systemtic Name: 6,8-bis(chloranyl)-3-(4-ethoxy-3-nitro-phenyl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,8-dichloro-3-(4-ethoxy-3-nitro-benzoyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6,8-dichloro-3-[(4-ethoxy-3-nitrophenyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,8-dichloro-3-(4-ethoxy-3-nitrobenzoyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,8-dichloro-3-(4-ethoxy-3-nitro-benzoyl)-2-thioxo-1H-quinazolin-4-one Formula: C17H11Cl2N3O5S MolecularWeight: 440.25734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2C(=O)C3=CC(=CC(=C3NC2=S)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2C(=O)C3=CC(=CC(=C3NC2=S)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H11Cl2N3O5S/c1-2-27-13-4-3-8(5-12(13)22(25)26)15(23)21-16(24)10-6-9(18)7-11(19)14(10)20-17(21)28/h3-7H,2H2,1H3,(H,20,28)