6-bromanyl-3-[5-(3-nitrophenyl)furan-2-yl]carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-bromanyl-3-[5-(3-nitrophenyl)furan-2-yl]carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-bromo-3-[5-(3-nitrophenyl)furan-2-carbonyl]-2-thioxo-quinazolin-4-olate CAS Name: 6-bromo-3-[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-3-[5-(3-nitrophenyl)furan-2-carbonyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-bromo-3-[5-(3-nitrophenyl)-2-furoyl]-2-thioxo-quinazolin-4-olate Formula: C19H9BrN3O5S- MolecularWeight: 471.26086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)N3C(=C4C=C(C=CC4=NC3=S)Br)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)N3C(=C4C=C(C=CC4=NC3=S)Br)[O-]

InChI

InChI=1S/C19H10BrN3O5S/c20-11-4-5-14-13(9-11)17(24)22(19(29)21-14)18(25)16-7-6-15(28-16)10-2-1-3-12(8-10)23(26)27/h1-9,24H/p-1