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

Systemtic Name: 2-bromanyl-6-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[[4-(carbamothioylamino)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-4-nitro-6-[(4-thioureidophenyl)iminomethyl]phenolate Formula: C14H10BrN4O3S- MolecularWeight: 394.2232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)N)N=CC2=CC(=CC(=C2[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)N)N=CC2=CC(=CC(=C2[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C14H11BrN4O3S/c15-12-6-11(19(21)22)5-8(13(12)20)7-17-9-1-3-10(4-2-9)18-14(16)23/h1-7,20H,(H3,16,18,23)/p-1