5-nitro-6-oxidanylidene-2-[2-(phenylcarbamothioyl)hydrazinyl]-1H-pyrimidin-4-olate

Systemtic Name: 5-nitro-6-oxidanylidene-2-[2-(phenylcarbamothioyl)hydrazinyl]-1H-pyrimidin-4-olate Openeye Name: 5-nitro-6-oxo-2-[2-(phenylcarbamothioyl)hydrazino]-1H-pyrimidin-4-olate CAS Name: 2-[[anilino(sulfanylidene)methyl]hydrazo]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-nitro-6-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]-1H-pyrimidin-4-olate Traditional Name: 6-keto-5-nitro-2-[N'-(phenylthiocarbamoyl)hydrazino]-1H-pyrimidin-4-olate Formula: C11H9N6O4S- MolecularWeight: 321.29196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C11H10N6O4S/c18-8-7(17(20)21)9(19)14-10(13-8)15-16-11(22)12-6-4-2-1-3-5-6/h1-5H,(H2,12,16,22)(H3,13,14,15,18,19)/p-1