2-[(5-bromanylfuran-2-yl)carbonylcarbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[(5-bromanylfuran-2-yl)carbonylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(5-bromofuran-2-carbonyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[(5-bromo-2-furanyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(5-bromofuran-2-carbonyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[(5-bromo-2-furoyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C12H7BrN3O5S- MolecularWeight: 385.17008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(O2)Br)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(O2)Br)[O-]

InChI

InChI=1S/C12H8BrN3O5S/c13-10-4-3-9(21-10)11(18)15-12(22)14-7-5-6(16(19)20)1-2-8(7)17/h1-5,17H,(H2,14,15,18,22)/p-1