4-nitro-2-(phenylcarbamothioylamino)phenolate

Systemtic Name: 4-nitro-2-(phenylcarbamothioylamino)phenolate Openeye Name: 4-nitro-2-(phenylcarbamothioylamino)phenolate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4-nitrophenolate IUPAC Name: 4-nitro-2-(phenylcarbamothioylamino)phenolate Traditional Name: 4-nitro-2-(phenylthiocarbamoylamino)phenolate Formula: C13H10N3O3S- MolecularWeight: 288.3018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3S/c17-12-7-6-10(16(18)19)8-11(12)15-13(20)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,20)/p-1