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

Systemtic Name: 6,8-bis(chloranyl)-3-(4-ethoxy-3-nitro-phenyl)carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6,8-dichloro-3-(4-ethoxy-3-nitro-benzoyl)-2-thioxo-quinazolin-4-olate CAS Name: 6,8-dichloro-3-[(4-ethoxy-3-nitrophenyl)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6,8-dichloro-3-(4-ethoxy-3-nitrobenzoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 6,8-dichloro-3-(4-ethoxy-3-nitro-benzoyl)-2-thioxo-quinazolin-4-olate Formula: C17H10Cl2N3O5S- MolecularWeight: 439.2494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2C(=C3C=C(C=C(C3=NC2=S)Cl)Cl)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2C(=C3C=C(C=C(C3=NC2=S)Cl)Cl)[O-])[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/h3-7,24H,2H2,1H3/p-1