2-[(3-bromophenyl)carbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[(3-bromophenyl)carbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(3-bromophenyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(3-bromophenyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[(3-bromophenyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C13H9BrN3O3S- MolecularWeight: 367.19786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H10BrN3O3S/c14-8-2-1-3-9(6-8)15-13(21)16-11-7-10(17(19)20)4-5-12(11)18/h1-7,18H,(H2,15,16,21)/p-1