2-bromanyl-6-[[4-(ethanoylcarbamothioylamino)phenyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-bromanyl-6-[[4-(ethanoylcarbamothioylamino)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[4-(acetylcarbamothioylamino)phenyl]iminomethyl]-6-bromo-4-nitro-phenolate CAS Name: 2-[[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]iminomethyl]-6-bromo-4-nitrophenolate IUPAC Name: 2-[[4-(acetylcarbamothioylamino)phenyl]iminomethyl]-6-bromo-4-nitrophenolate Traditional Name: 2-[[4-(acetylthiocarbamoylamino)phenyl]iminomethyl]-6-bromo-4-nitro-phenolate Formula: C16H12BrN4O4S- MolecularWeight: 436.25988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=C(C=C1)N=CC2=CC(=CC(=C2[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)N=CC2=CC(=CC(=C2[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN4O4S/c1-9(22)19-16(26)20-12-4-2-11(3-5-12)18-8-10-6-13(21(24)25)7-14(17)15(10)23/h2-8,23H,1H3,(H2,19,20,22,26)/p-1