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

Systemtic Name: 6-bromanyl-3-[5-(4-methyl-3-nitro-phenyl)furan-2-yl]carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-bromo-3-[5-(4-methyl-3-nitro-phenyl)furan-2-carbonyl]-2-thioxo-quinazolin-4-olate CAS Name: 6-bromo-3-[[5-(4-methyl-3-nitrophenyl)-2-furanyl]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-3-[5-(4-methyl-3-nitrophenyl)furan-2-carbonyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-bromo-3-[5-(4-methyl-3-nitro-phenyl)-2-furoyl]-2-thioxo-quinazolin-4-olate Formula: C20H11BrN3O5S- MolecularWeight: 485.28744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)N3C(=C4C=C(C=CC4=NC3=S)Br)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)N3C(=C4C=C(C=CC4=NC3=S)Br)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H12BrN3O5S/c1-10-2-3-11(8-15(10)24(27)28)16-6-7-17(29-16)19(26)23-18(25)13-9-12(21)4-5-14(13)22-20(23)30/h2-9,25H,1H3/p-1